SCHEMBL4989565

SCHEMBL4989565

CC1=C(C#N)C(c2ccc3c(c2)c(NCC2CCN(C(=O)OC(C)(C)C)CC2)nn3CC2CCN(C(=O)OC(C)(C)C)CC2)C(C#N)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
GABRA1 P14867 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
NOTCH1 P46531 9/20 0.41
BCDIN3D Q7Z5W3 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SYK P43405 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.38
PIM1 P11309 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CETP P11597 1/20 0.37

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
SCHEMBL4989299 0.84 CNR1 (0.45) JAK2JAK1NOTCH1BCDIN3DGPR119
SCHEMBL4441866 0.78 GABRA1 (0.50) JAK2JAK1GABRA1TMEM97NOTCH1
SCHEMBL2010184 0.73 MET (0.44) GABRA1TMEM97KDM4EALDH1A1MAPT
SCHEMBL4992185 0.72 GABRA1 (0.45) JAK2JAK1GABRA1TMEM97NOTCH1
SCHEMBL4985352 0.72 GABRA1 (0.48) GABRA1TMEM97NOTCH1KDM4EALDH1A1
SCHEMBL4999841 0.71 NOTCH1 (0.53) NOTCH1GPR119KDM4EPKM
SCHEMBL1415058 0.71 GABRA1 (0.47) GABRA1TMEM97NOTCH1KDM4EALDH1A1
SCHEMBL9906879 0.71 GABRA1 (0.43) JAK2JAK1GABRA1TMEM97KDM4E
SCHEMBL1414950 0.70 GABRA1 (0.46) JAK2JAK1GABRA1TMEM97NOTCH1
SCHEMBL4997426 0.69 GABRA1 (0.42) GABRA1TMEM97KDM4EALDH1A1MAPT

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 JAK2 169/4885JAK1 431/4885GABRA1 2962/4885

“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.