SCHEMBL3103024

SCHEMBL3103024

Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.46
STAT3 P40763 4/20 0.44
GCGR P47871 10/20 0.43
HIF1A Q16665 2/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
HDAC1 Q13547 1/20 0.40
GIPR P48546 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL516481 0.92 CASP3 (0.47) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL3093218 0.91 CASP3 (0.47) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL3097125 0.91 CASP3 (0.49) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL3094371 0.91 HDAC3 (0.47) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL3094450 0.91 CASP3 (0.47) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL13362292 0.90 CASP3 (0.46) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL3098772 0.90 STAT3 (0.46) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL13181221 0.90 STAT3 (0.54) CASP3STAT3GCGRCYP2C9
SCHEMBL3102922 0.90 HIF1A (0.49) CASP3STAT3GCGRHIF1ASCN10A
SCHEMBL2640895 0.90 HIF1A (0.48) CASP3STAT3GCGRHIF1ASCN10A

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 12 patents. 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
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-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-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-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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 (3 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-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A CASP3 840/4885STAT3 1540/4885GCGR 1646/4885
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 CASP3 448/4885STAT3 426/4885GCGR 1118/4885
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL CASP3 2379/4885STAT3 575/4885GCGR 869/4885

“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.