SCHEMBL5000259

SCHEMBL5000259

CC1=C(C#N)C(c2ccc3[nH]nc(-c4cccnc4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.56
MET P08581 7/20 0.55
RPS6KA3 P51812 1/20 0.55
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LRRK2 Q5S007 2/20 0.48
IDO1 P14902 1/20 0.48
AXL P30530 1/20 0.46
DRD5 P21918 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
GLA P06280 3/20 0.44
GAA P10253 3/20 0.44
PIM1 P11309 1/20 0.44
CASP1 P29466 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL4995162 0.86 MET (0.59) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4994416 0.83 MET (0.56) METRPS6KA3POLBMAPK1SMN1; SMN2
Bay-474 SCHEMBL4994862 0.82 MET (0.66) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4994686 0.82 MET (0.52) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL2015448 0.81 MET (0.48) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4988303 0.81 MET (0.53) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4992616 0.81 AXL (0.57) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4997309 0.80 MET (0.55) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4988077 0.80 MAPK1 (0.55) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4988535 0.80 MET (0.47) MAP2K4METRPS6KA3POLBMAPK1

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 MAP2K4 629/4885MET 1/4885RPS6KA3 146/4885

“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.