SCHEMBL562195

SCHEMBL562195

CC1=C(C#N)C(c2ccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c3c2)C2=C(COC2=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
MET P08581 7/20 0.43
PIM1 P11309 1/20 0.41
RPS6KA3 P51812 1/20 0.38
PDPK1 O15530 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
ELANE P08246 1/20 0.36
CYP2C9 P11712 1/20 0.36
BRD4 O60885 1/20 0.36
BRDT Q58F21 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
GLA P06280 2/20 0.35

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
SCHEMBL10212485 0.86 PIM1 (0.40) LRRK2METPIM1PDPK1BRD4
SCHEMBL561795 0.84 MAPK1 (0.43) LRRK2METRPS6KA3KDM4EALDH1A1
SCHEMBL561558 0.83 MET (0.46) METRPS6KA3KDM4EALDH1A1GAA
SCHEMBL562201 0.81 MET (0.44) METRPS6KA3KDM4EALDH1A1GAA
SCHEMBL561361 0.81 MET (0.40) LRRK2METBRD4BRDTABCC9
SCHEMBL561540 0.81 MET (0.48) METRPS6KA3BRD4BRDTABCC9
SCHEMBL561808 0.80 MET (0.43) METRPS6KA3KDM4EALDH1A1GAA
SCHEMBL562054 0.78 MET (0.58) LRRK2METRPS6KA3KDM4EALDH1A1
SCHEMBL561326 0.74 TUBB4A (0.43) METKDM4EALDH1A1GAAABCC9
SCHEMBL562277 0.74 MET (0.41) METKDM4EALDH1A1GAAABCC9

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 LRRK2 333/4885MET 1/4885PIM1 44/4885

“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.