SCHEMBL313310

SCHEMBL313310

COc1c[c]c(Cl)c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
ATM Q13315 1/20 0.33
CA9 Q16790 1/20 0.33
PTGS2 P35354 1/20 0.31
PDE5A O76074 1/20 0.31
KDM4E B2RXH2 1/20 0.30
S1PR4 O95977 1/20 0.30
HSP90AA1 P07900 1/20 0.30
G6PD P11413 1/20 0.30
S1PR1 P21453 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
MCL1 Q07820 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16993320 0.84 ACHE (0.33) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL312101 0.83 ACHE (0.37) ACHEMAPTCYP3A4CA9
SCHEMBL27641148 0.77 HTR2A (0.34)
SCHEMBL3394037 0.77 NOTUM (0.31) MAPTCYP3A4GAA
SCHEMBL2154014 0.74 ACHE (0.41) ACHEMAPTCYP3A4ATMCA9
SCHEMBL745028 0.74 ACHE (0.36) ACHEMAPTCYP3A4ATMCA9
SCHEMBL312248 0.73 ACHE (0.34) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL1466344 0.73 MAPT (0.43) ACHEMAPTCYP3A4ATMCA9
SCHEMBL311915 0.73 ACHE (0.34) ACHEMAPTCYP3A4CA9PTGS2
SCHEMBL312860 0.73 ACHE (0.34) ACHEMAPTCYP3A4CA9PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP claimed
JP-4397691-B2 2010-01-13 JP claimed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US claimed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US claimed
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US claimed
US-7241890-B2 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-10 US claimed
JP-2007505933-A 2007-03-15 JP claimed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP claimed
CN-1791412-A Novel compounds and their use in therapy SOLVAY PHARM GMBH (NL) 2006-06-21 CN claimed
EP-1635839-A2 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP claimed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US claimed
JP-2005511565-A 2005-04-28 JP claimed
WO-2005032527-A2 BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-04-14 WO claimed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO claimed
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-03-03 US claimed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US claimed
EP-1440072-A4 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTIC CORP (US) 2005-02-02 EP claimed
EP-1440072-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY Conforma Therapeutic Corporation (US) 2004-07-28 EP claimed
WO-2003037860-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-08 WO claimed
EP-3880205-B1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER ROUSSY INST GUSTAVE (FR) 2023-08-30 EP disclosed
US-20220047597-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2022-02-17 US disclosed
EP-3880205-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER Institut Gustave-Roussy (FR) 2021-09-22 EP disclosed
CN-113226323-A Madricin derivative compounds, compositions and uses thereof for treating cancer 法国古士塔柏罗斯学院 2021-08-06 CN disclosed
WO-2020099650-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER INSTITUT GUSTAVE ROUSSY (FR) 2020-05-22 WO disclosed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
EP-2336133-A1 Purine analogs having HSP90-inhibiting activity Conforma Therapeutics Corporation (US) 2011-06-22 EP disclosed
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
EP-2012791-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2009-01-14 EP disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 WO disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-7129244-B2 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-31 US disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
CN-1791412-A Novel compounds and their use in therapy SOLVAY PHARM GMBH (NL) 2006-06-21 CN disclosed
EP-1635839-A2 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 US disclosed
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 US disclosed
WO-2005032527-A2 BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-04-14 WO disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US disclosed
EP-0493617-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL KANEGAFUCHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-5266485-A Biosynthesis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed
EP-0493617-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL AND (-)-SUBSTITUTED STYRENE OXIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-08 EP disclosed
EP-0493617-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL AND (-)-SUBSTITUTED STYRENE OXIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4880/4885MAPT 2449/4885CYP3A4 4204/4885
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 ACHE 4685/4885MAPT 132/4885CYP3A4 2817/4885
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885MAPT 2565/4885CYP3A4 3491/4885
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 ACHE 4813/4885MAPT 1924/4885CYP3A4 4723/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4879/4885MAPT 2608/4885CYP3A4 4441/4885
US-20220047597-A1 MADRASIN-DERIVATIVE COMPOUNDS, COMPOSITION AND USES THEREOF FOR TREATING CANCER PTPRS, PTMS, PTPRC ACHE 542/4885MAPT 1578/4885CYP3A4 3344/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4879/4885MAPT 2573/4885CYP3A4 4260/4885
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885MAPT 2170/4885CYP3A4 3640/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4880/4885MAPT 2449/4885CYP3A4 4204/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4876/4885MAPT 2030/4885CYP3A4 3117/4885
US-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 ACHE 2269/4885MAPT 1642/4885CYP3A4 131/4885
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885MAPT 2170/4885CYP3A4 3640/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 ACHE 4685/4885MAPT 132/4885CYP3A4 2817/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 ACHE 2269/4885MAPT 1642/4885CYP3A4 131/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885MAPT 2565/4885CYP3A4 3491/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4876/4885MAPT 2030/4885CYP3A4 3117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.