SCHEMBL561146

SCHEMBL561146

CC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C2=C(CCC2=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 10/20 0.53
GAA P10253 8/20 0.53
HPGD P15428 8/20 0.53
GLA P06280 5/20 0.53
MET P08581 4/20 0.47
RPS6KA3 P51812 1/20 0.47
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.41
KLK7 P49862 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL561816 0.94 KDM4E (0.62) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL561205 0.84 MET (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL561558 0.84 MET (0.46) KDM4EALDH1A1GAAHPGDGLA
Bay-474 SCHEMBL4994862 0.83 MET (0.66) KDM4EALDH1A1HPGDMETRPS6KA3
SCHEMBL10212439 0.82 MET (0.44) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL562367 0.81 MET (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL561649 0.80 MET (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL561467 0.80 ABCC9 (0.62) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL561283 0.79 MET (0.43) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL10212438 0.77 MET (0.43) KDM4EALDH1A1GAAHPGDGLA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759341-B2 Bi- and tricyclic indazole-substituted 1,4-dihydropyridine derivatives and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-24 US disclosed
US-8759341-B2 Bi- and tricyclic indazole-substituted 1,4-dihydropyridine derivatives and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-24 US disclosed
EP-2398790-B1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER IP GMBH (DE) 2013-07-03 EP disclosed
EP-2398790-B1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER IP GMBH (DE) 2013-07-03 EP disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
EP-2398790-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-12-28 EP disclosed
WO-2010094405-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2010094405-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 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 (1 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-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF MET, RET, ERBB2 KDM4E 1206/4885ALDH1A1 916/4885GAA 3596/4885

“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.