SCHEMBL4994442

SCHEMBL4994442

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(c2cccc([N+](=O)[O-])c2)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.56
▸ MAPT P10636 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ NOS1 P29475 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ DRD5 P21918 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL2011898 0.85 MET (0.62) METMAPTPOLBMAOBROCK2
SCHEMBL2009516 0.85 MET (0.67) METMAPTPOLBROCK1DRD5
SCHEMBL4996912 0.81 MET (0.62) METMAPTPOLBDRD5HTR2C
SCHEMBL2009638 0.81 MET (0.55) METPOLBMAOBROCK2ROCK1
SCHEMBL4996162 0.80 MET (0.66) METMAPTPOLBROCK2ROCK1
SCHEMBL1583361 0.79 MET (0.80) METMAPTPOLBNOS1ROCK2
SCHEMBL4992792 0.78 ALDH1A1 (0.46) MAPTPOLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL5000225 0.78 MET (0.60) METMAPTPOLBNOS1ROCK1
SCHEMBL4437416 0.78 MET (0.60) METPOLBMAOBROCK1DRD5
SCHEMBL9909087 0.77 MET (0.61) METMAPTPOLBNOS1ROCK2

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 5 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
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 1/4885MAPT 1550/4885POLB 3783/4885

“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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