SCHEMBL312860

SCHEMBL312860

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
CA9 Q16790 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 2/20 0.32
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA12 O43570 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
HPGD P15428 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL311320 0.83 ACHE (0.37) ACHECA9CYP3A4MAPT
SCHEMBL3396123 0.77
SCHEMBL27661643 0.77 HTR2A (0.34)
SCHEMBL27814463 0.77 HTR2A (0.34)
SCHEMBL2154014 0.74 ACHE (0.41) ACHECA9CYP3A4MAPTPTGS2
SCHEMBL745028 0.74 ACHE (0.36) ACHECA9CYP3A4MAPTPTGS2
SCHEMBL312248 0.73 ACHE (0.34) ACHECA9CYP3A4MAPTMAOA
SCHEMBL311915 0.73 ACHE (0.34) ACHECA9CYP3A4MAPTPTGS2
SCHEMBL313310 0.73 ACHE (0.34) ACHECA9CYP3A4MAPTPTGS2
SCHEMBL1466344 0.73 MAPT (0.43) ACHECA9CYP3A4MAPTPTGS2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO claimed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
CN-101906106-A New heterogeneous ring compound as the HSP90-inhibitor CONFORMA THERAPEUTICS CORP 2010-12-08 CN disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 CN 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
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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors 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
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors 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-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO 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 (7 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 4880/4885CA9 4805/4885CYP3A4 4204/4885
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885CA9 4825/4885CYP3A4 3491/4885
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 ACHE 4813/4885CA9 4777/4885CYP3A4 4723/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4879/4885CA9 4851/4885CYP3A4 4441/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4879/4885CA9 4826/4885CYP3A4 4260/4885
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4873/4885CA9 4783/4885CYP3A4 3640/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 ACHE 4876/4885CA9 4470/4885CYP3A4 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.