SCHEMBL4989577

SCHEMBL4989577

Cc1nc(C)c(C#N)c(-c2ccc(S)cc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 10/20 0.42
HTT P42858 6/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 6/20 0.41
ADRA2A P08913 1/20 0.41
ADORA2A P29274 1/20 0.41
NPSR1 Q6W5P4 4/20 0.41
RXFP1 Q9HBX9 4/20 0.41
PPARG P37231 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
NCOA2 Q15596 1/20 0.41

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
SCHEMBL4755334 0.74 MAPK14 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1411744 0.71 CNR2 (0.43) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL25361441 0.70 PRF1 (0.44) ALDH1A1KDM4EHTTHPGDMAPT
SCHEMBL2036918 0.68 JAK2 (0.43) KDM4EADORA2AMAPK1
SCHEMBL13914223 0.68 KDM4E (0.58) ALDH1A1KDM4EHTTHPGDLMNA
SCHEMBL12992409 0.67 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5483517 0.67 ADORA2A (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7094514 0.67 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL24196864 0.66 TSHR (0.48) ALDH1A1KDM4EHPGDL3MBTL1ALOX15
SCHEMBL9909077 0.65 ALDH1A1 (0.46) ALDH1A1KDM4EHTTHPGDMAPT

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 ALDH1A1 1341/4885CYP1A2 3348/4885CYP2C9 3672/4885

“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.