SCHEMBL4989608

SCHEMBL4989608

CC1=C(C#N)C(c2cccc(C(=O)NCc3ccncc3)c2)C(C#N)=C(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
ROCK2 O75116 3/20 0.44
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK14 Q16539 2/20 0.43
CSF1R P07333 1/20 0.43
AKT1 P31749 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK2A1 P68400 1/20 0.43
NTRK2 Q16620 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
GRK2 P25098 2/20 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
SCHEMBL4996144 0.90 ROCK2 (0.52) GAAROCK2MAPK1SMN1; SMN2POLB
SCHEMBL4997721 0.84 NT5E (0.54) GAAMAPK1SMN1; SMN2LMNAPOLB
SCHEMBL13685560 0.80 HDAC6 (0.47) GAAMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL4436080 0.80 SMN1; SMN2 (0.46) GAAMAPK1SMN1; SMN2LMNAPOLB
SCHEMBL4994434 0.80 SMN1; SMN2 (0.43) GAAMAPK1SMN1; SMN2POLBMAPK14
SCHEMBL4991223 0.79 MEN1 (0.49) SMN1; SMN2NAMPT
SCHEMBL4988615 0.78 LMNA (0.46) MAPK1SMN1; SMN2LMNAPOLB
SCHEMBL4441943 0.78 KCNK3 (0.54) GAAMAPK1SMN1; SMN2LMNAPOLB
SCHEMBL4441894 0.78 MEN1 (0.57) SMN1; SMN2ALDH1A1NAMPT
SCHEMBL4431544 0.78 BRAF (0.54) KDM1AMAPK1LMNATSHRALDH1A1

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 3 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 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 GAA 1613/4885KDM1A 2093/4885MAOA 2738/4885

“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.