SCHEMBL561547

SCHEMBL561547

Cc1n[nH]c2cc(F)c(C3C(C#N)=C(C(F)(F)F)NC4=C3C(=O)OC4)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.36
▸ ABCC9 O60706 9/20 0.34
▸ KCNJ11 Q14654 9/20 0.34
▸ ABCC8 Q09428 6/20 0.34
▸ KCNJ8 Q15842 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ MAP4K2 Q12851 1/20 0.32
▸ MARK2 Q7KZI7 1/20 0.32
▸ MINK1 Q8N4C8 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL561540 0.86 MET (0.48) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL10212502 0.84 MET (0.40) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL12722397 0.84 MET (0.46) METALDH1A1CLK2MAP4K2MARK2
SCHEMBL562093 0.83 MET (0.47) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL1583681 0.81 MET (0.53) METKDM4EALDH1A1CLK2MAP4K2
SCHEMBL1681402 0.75 MET (0.39) METCLK2MAP4K2MARK2MINK1
SCHEMBL561558 0.75 MET (0.46) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL561361 0.74 MET (0.40) METABCC9KCNJ11ABCC8KCNJ8
SCHEMBL562100 0.74 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL561326 0.72 TUBB4A (0.43) METABCC9KCNJ11ABCC8KCNJ8

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 7 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
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 MET 1/4885ABCC9 3756/4885KCNJ11 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.

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