SCHEMBL2360415

SCHEMBL2360415

Nc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
CASP3 P42574 1/20 0.51
POLB P06746 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.46
TP53 P04637 4/20 0.44
NOTUM Q6P988 1/20 0.44
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
GRM5 P41594 1/20 0.42
STAT3 P40763 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
S1PR1 P21453 1/20 0.41
PLAT P00750 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 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
SCHEMBL516913 0.86 MAPT (0.53) MAPTCASP3POLBSCN10ATP53
SCHEMBL3105304 0.86 MAPT (0.50) MAPTCASP3POLBSCN10ATP53
SCHEMBL7065769 0.82 NOTUM (0.47) MAPTPOLBSCN10ANOTUMADORA3
SCHEMBL3091458 0.82 MAPT (0.46) MAPTCASP3POLBSCN10ATP53
SCHEMBL14881124 0.81 CASP3 (0.56) MAPTCASP3POLBSCN10ATP53
SCHEMBL1259383 0.79 CASP3 (0.57) MAPTCASP3SCN10ADPP4DPP7
SCHEMBL28733751 0.77 CASP3 (0.54) MAPTCASP3SCN10ANOTUMDPP4
SCHEMBL22897781 0.76 CASP3 (0.52) MAPTCASP3SCN10ATP53DPP4
SCHEMBL15498692 0.76 CASP3 (0.52) MAPTCASP3POLBSCN10ATP53
SCHEMBL22897780 0.75 S1PR1 (0.52) MAPTCASP3SCN10ADPP4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765596-B Inhibitors of hypoxia inducible factor (HIF) useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER IP GMBH 2015-04-29 CN 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
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP 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
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-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL 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-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE 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
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 (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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL MAPT 4432/4885CASP3 2451/4885POLB 747/4885
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A MAPT 4465/4885CASP3 840/4885POLB 683/4885
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 MAPT 2223/4885CASP3 448/4885POLB 947/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL MAPT 4744/4885CASP3 2379/4885POLB 1500/4885

“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.