SCHEMBL12595263

SCHEMBL12595263

COc1ccc(C2=C(C#N)C(c3ccc4[nH]nc(C)c4c3)C(C#N)=C(C(F)F)N2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.63
DRD5 P21918 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44
RPS6KA3 P51812 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LRRK2 Q5S007 2/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL1993082 0.90 MET (0.62) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL12595668 0.89 MET (0.56) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1983683 0.89 MET (0.61) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1984128 0.88 MET (0.61) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL12595674 0.86 MET (0.51) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1583435 0.85 MET (0.62) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1583727 0.82 MET (0.71) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL12595260 0.80 MET (0.51) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1583574 0.80 MET (0.56) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL12808129 0.79 MET (0.55) METDRD5HTR2CHTR6RPS6KA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499124-B1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-9018234-B2 Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-03 US disclosed
WO-2011069761-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-16 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-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF MET, RET, ABL1 MET 1/4885DRD5 1789/4885HTR2C 1296/4885

“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.