SCHEMBL516913

SCHEMBL516913

Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
POLB P06746 1/20 0.53
CASP3 P42574 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
TP53 P04637 4/20 0.47
NOTUM Q6P988 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
S1PR1 P21453 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRM5 P41594 1/20 0.41
STAT3 P40763 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL2360415 0.86 MAPT (0.51) MAPTPOLBCASP3SCN10ATP53
SCHEMBL3105304 0.85 MAPT (0.50) MAPTPOLBCASP3SCN10ATP53
SCHEMBL2640806 0.85 S1PR1 (0.48) MAPTPOLBTP53S1PR1NPSR1
SCHEMBL2360362 0.85 MAPT (0.71) MAPTPOLBCASP3TP53S1PR1
SCHEMBL2360587 0.84 S1PR1 (0.43) MAPTPOLBTP53S1PR1NPSR1
SCHEMBL2640759 0.84 LMNA (0.59) MAPTPOLBCASP3TP53S1PR1
SCHEMBL13362298 0.83 MAPT (0.56) MAPTPOLBTP53S1PR1NPC1
SCHEMBL2360912 0.83 MAPT (0.45) MAPTPOLBCASP3TP53NOTUM
SCHEMBL2641004 0.82 NPC1 (0.52) MAPTPOLBTP53S1PR1NPC1
SCHEMBL2640808 0.82 MAPT (0.52) MAPTPOLBTP53S1PR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
EP-2148877-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-02-03 EP disclosed
WO-2008141731-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE AG (DE) 2008-11-27 WO disclosed
WO-2008141731-A2 INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE AG (DE) 2008-11-27 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 (2 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-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 MAPT 2223/4885POLB 947/4885CASP3 448/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL MAPT 4744/4885POLB 1500/4885CASP3 2379/4885

“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.