SCHEMBL2009516

SCHEMBL2009516

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2ccccc2)N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 12/20 0.67
▸ DRD5 P21918 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ DYRK3 O43781 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ TRPA1 O75762 2/20 0.43

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
SCHEMBL4996162 0.90 MET (0.66) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL4996912 0.90 MET (0.62) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL2011898 0.90 MET (0.62) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL4437416 0.88 MET (0.60) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL1583361 0.87 MET (0.80) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL4987926 0.87 MET (0.61) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL4994442 0.85 MET (0.56) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL9909087 0.85 MET (0.61) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL5000225 0.84 MET (0.60) METDRD5HTR2CHTR6SMN1; SMN2
SCHEMBL4437291 0.83 MET (0.57) METDRD5HTR2CHTR6SMN1; SMN2

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 6 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
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US claimed
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 — — EP disclosed
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 1/4885DRD5 2112/4885HTR2C 2151/4885

“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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