SCHEMBL4989299

SCHEMBL4989299

CC1=C(C#N)C(c2ccc3[nH]nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
NOTCH1 P46531 9/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
MET P08581 2/20 0.40
RPS6KA3 P51812 1/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
BRD3 Q15059 1/20 0.39

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
SCHEMBL2010184 0.89 MET (0.44) METRPS6KA3KDM4E
SCHEMBL4989565 0.84 JAK2 (0.43) NOTCH1JAK2JAK1BCDIN3DGPR119
SCHEMBL9888358 0.82 MET (0.43) CNR1NOTCH1METRPS6KA3KDM4E
SCHEMBL4994810 0.81 MET (0.49) METRPS6KA3KDM4E
SCHEMBL4988652 0.79 EGLN2 (0.43) CNR1GPR119METRPS6KA3
SCHEMBL2009550 0.76 MET (0.58) METRPS6KA3KDM4E
SCHEMBL4994234 0.75 MAPK10 (0.46)
Hydrochloric Acid SCHEMBL4999892 0.75 MET (0.57) METRPS6KA3KDM4E
SCHEMBL13685579 0.74 MET (0.52) METRPS6KA3KDM4E
SCHEMBL2015113 0.74 MET (0.54) METRPS6KA3KDM4E

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 CNR1 3451/4885NOTCH1 696/4885JAK2 169/4885

“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.