SCHEMBL561246

SCHEMBL561246

Cc1n[nH]c2ccc(C3C(C#N)=C(C(C)C)NC4=C3C(=O)OC4)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MET P08581 6/20 0.38
▸ ABCC9 O60706 11/20 0.37
▸ KCNJ11 Q14654 11/20 0.37
▸ ABCC8 Q09428 7/20 0.37
▸ KCNJ8 Q15842 7/20 0.37
▸ RPS6KA3 P51812 1/20 0.36

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 0.90 MET (0.46) KDM4EALDH1A1MAPTMETABCC9
SCHEMBL561540 0.85 MET (0.48) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL10212503 0.84 MET (0.43) KDM4EALDH1A1MAPTRECQLMET
SCHEMBL561326 0.82 TUBB4A (0.43) KDM4EALDH1A1MAPTMETABCC9
SCHEMBL562365 0.82 MET (0.49) KDM4EALDH1A1METABCC9KCNJ11
SCHEMBL562277 0.82 MET (0.41) KDM4EALDH1A1MAPTMETABCC9
SCHEMBL561769 0.82 KDM4E (0.37) KDM4EALDH1A1MAPTMETABCC9
SCHEMBL562100 0.81 ABCC9 (0.39) KDM4EALDH1A1MAPTABCC9KCNJ11
SCHEMBL561361 0.81 MET (0.40) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL562201 0.80 MET (0.44) KDM4EALDH1A1METABCC9KCNJ11

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 6 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
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
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 916/4885MAPT 1788/4885

“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.

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