SCHEMBL182861

SCHEMBL182861

CC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C(C#N)=C2COCCN12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 13/20 0.44
▸ RPS6KA3 P51812 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ DRD5 P21918 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL182726 0.90 MET (0.43) METRPS6KA3LRRK2ALDH1A1NPC1
SCHEMBL12415909 0.89 MET (0.48) METRPS6KA3LRRK2ALDH1A1NPC1
SCHEMBL182505 0.89 MET (0.42) METRPS6KA3ALDH1A1NPC1KDM4E
SCHEMBL562349 0.85 MET (0.55) METRPS6KA3LRRK2ALDH1A1NPC1
SCHEMBL182804 0.84 MET (0.42) METLRRK2
SCHEMBL12415910 0.80 MET (0.47) METRPS6KA3LRRK2ALDH1A1NPC1
SCHEMBL12415915 0.79 MET (0.46) METRPS6KA3ALDH1A1NPC1USP2
SCHEMBL4994801 0.79 MET (0.55) METRPS6KA3ALDH1A1KDM4EMAPT
SCHEMBL2015321 0.77 MET (0.44) METRPS6KA3ALDH1A1KDM4EMAPT
SCHEMBL12415916 0.75 MET (0.45) METLRRK2

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-8642595-B2 Annellated 4-(indazolyl)-1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 — — US disclosed
US-8642595-B2 Annellated 4-(indazolyl)-1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 — — US disclosed
EP-2300482-B1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AS c-Met MEDIATORS Bayer Pharma AG (DE) 2012-01-04 — — EP disclosed
EP-2300482-B1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AS c-Met MEDIATORS Bayer Pharma AG (DE) 2012-01-04 — — EP disclosed
US-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-14 — — US disclosed
US-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-14 — — US disclosed
EP-2300482-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-30 — — EP disclosed
WO-2009149836-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 — — WO disclosed
WO-2009149836-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 — — 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-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF MET, ERBB4, RET MET 1/4885RPS6KA3 495/4885LRRK2 538/4885

“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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