SCHEMBL359859

SCHEMBL359859

[c]1ncccc1-c1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
CYP2A6 P11509 4/20 0.36
NISCH Q9Y2I1 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NPC1 O15118 2/20 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
SCHEMBL155358 0.76 KDM4E (0.52) METAP2CYP2A6KDM4ECYP1A2ALDH1A1
SCHEMBL15512167 0.74 CYP2A6 (0.49) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4909130 0.73
SCHEMBL756428 0.73 NISCH (0.34) METAP2NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL583848 0.73 METAP2 (0.40) METAP2CYP2A6NISCHCYP2D6CYP19A1
SCHEMBL4489657 0.72 CYP2A6 (0.56) METAP2CYP2A6CYP2D6CYP2C9CYP2C19
SCHEMBL40492 0.72 KDM4E (0.52) CYP2A6KDM4ECYP1A2ALDH1A1HSD17B10
SCHEMBL28852322 0.70 CCR1 (0.52) METAP2CYP2A6PIM1ALDH1A1CYP3A4
SCHEMBL28852324 0.70 CCR1 (0.55) METAP2CYP2A6KDM4EALDH1A1
SCHEMBL1008860 0.69 CYP1A2 (0.38) METAP2NISCHCYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696682-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2014-02-19 EP claimed
EP-2592933-A1 MIF INHIBITORS AND THEIR USES Gaweco, Anderson (US) 2013-05-22 EP claimed
WO-2012142498-A2 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS, INC. (US) 2012-10-18 WO claimed
EP-2481736-A1 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases Deciphera Pharmaceuticals, LLC. (US) 2012-08-01 EP claimed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US claimed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO claimed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US claimed
WO-2012009649-A1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2012-01-19 WO claimed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US claimed
EP-2148677-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-02-03 EP claimed
EP-1732906-A4 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO INC (US) 2007-11-21 EP claimed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
EP-1732906-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS Merck & Co., Inc. (US) 2006-12-20 EP claimed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
WO-2005097767-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2005-10-20 WO claimed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors BACE2, BACE1, APP METAP2 66/4885CYP2A6 1325/4885NISCH 3244/4885
US-20120035150-A1 MIF INHIBITORS AND THEIR USES MIF, SERPINB1, HMGB2 METAP2 148/4885CYP2A6 3091/4885NISCH 4514/4885
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 METAP2 2736/4885CYP2A6 4445/4885NISCH 3537/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK METAP2 1072/4885CYP2A6 2233/4885NISCH 4374/4885

“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.