SCHEMBL2011958

SCHEMBL2011958

COC(=O)Nc1ccc(-c2n[nH]c3ccc(C4C(C#N)=C(C)NC(C)=C4C#N)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.48
RPS6KA3 P51812 1/20 0.48
LRRK2 Q5S007 14/20 0.45
TTK P33981 1/20 0.43
MAPK8 P45983 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
GABRA1 P14867 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL4997596 0.91 MET (0.45) METRPS6KA3LRRK2TTKMAPK8
SCHEMBL4995162 0.81 MET (0.59) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL4994206 0.81 GABRA1 (0.46) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL4436577 0.79 MET (0.55) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL4994416 0.78 MET (0.56) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL13685516 0.77 MET (0.53) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL2009315 0.77 MET (0.46) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL2012423 0.77 MET (0.55) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL2015963 0.77 MET (0.52) METRPS6KA3LRRK2DRD5HTR2C
SCHEMBL4994686 0.77 MET (0.52) METRPS6KA3LRRK2TTKDRD5

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
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP claimed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO claimed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET MET 1/4885RPS6KA3 146/4885LRRK2 341/4885

“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.