SCHEMBL561769

SCHEMBL561769

COCCC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C2=C(COC2=O)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 7/20 0.37
MET P08581 3/20 0.36
ABCC9 O60706 5/20 0.35
KCNJ11 Q14654 5/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ8 Q15842 1/20 0.35
HPGD P15428 3/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.33
BRDT Q58F21 1/20 0.33

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
SCHEMBL561558 0.86 MET (0.46) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL10212458 0.85 MET (0.41) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL561540 0.82 MET (0.48) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL561246 0.82 KDM4E (0.38) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL562365 0.79 MET (0.49) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL561326 0.79 TUBB4A (0.43) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL562277 0.79 MET (0.41) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL561441 0.79 ALDH1A1 (0.36) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL561808 0.77 MET (0.43) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL562100 0.77 ABCC9 (0.39) KDM4EALDH1A1ABCC9KCNJ11ABCC8

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 916/4885MET 1/4885

“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.