SCHEMBL561467

SCHEMBL561467

CC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C2=C(CCS2(=O)=O)N1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.62
ABCC8 Q09428 13/20 0.62
KCNJ11 Q14654 13/20 0.62
KCNJ8 Q15842 13/20 0.62
MET P08581 7/20 0.46
RPS6KA3 P51812 1/20 0.46
DRD5 P21918 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 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
SCHEMBL10212436 0.83 MET (0.43) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL562109 0.82 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8MET
Bay-474 SCHEMBL4994862 0.81 MET (0.66) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL561146 0.80 KDM4E (0.53) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL561558 0.78 MET (0.46) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL561816 0.78 KDM4E (0.62) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL561205 0.77 MET (0.47) ABCC9ABCC8KCNJ11KCNJ8MET
SCHEMBL1078003 0.75 MET (0.49) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583335 0.75 MET (0.72) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583408 0.75 MET (0.72) METRPS6KA3DRD5HTR2CHTR6

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 ABCC9 3756/4885ABCC8 3709/4885KCNJ11 4372/4885

“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.