SCHEMBL4989460

SCHEMBL4989460

CC1=C(C#N)C(c2ccc3cn[nH]c3c2)C(C#N)=C(C)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.65
RPS6KA3 P51812 1/20 0.55
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD5 P21918 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
NOS1 P29475 2/20 0.40
DYRK1A Q13627 2/20 0.40

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
SCHEMBL1583361 0.89 MET (0.80) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL1583928 0.79 MET (1.00) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL9906873 0.78 MET (0.65) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL2011081 0.78 MET (0.67) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL2009516 0.78 MET (0.67) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4996162 0.77 MET (0.66) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4992192 0.77 MET (0.54) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4992165 0.76 MET (0.62) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL4992829 0.76 MET (0.53) METRPS6KA3POLBMAPK1SMN1; SMN2
SCHEMBL7817348 0.75 MET (0.59) METRPS6KA3POLBMAPK1SMN1; SMN2

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 MET 1/4885RPS6KA3 146/4885POLB 3783/4885

“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.