SCHEMBL4999942

SCHEMBL4999942

CNC(=O)c1cccc(C2C(C#N)=C(C)NC(c3cccc(NS(C)(=O)=O)c3)=C2C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 3/20 0.44
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MET P08581 1/20 0.37
DRD5 P21918 1/20 0.37
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 4/20 0.35
HSP90AB1 P08238 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4995547 0.87 ALDH1A1 (0.37) TNIKALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4992558 0.87 FYN (0.41) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4431472 0.86 MAPT (0.47) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4995786 0.85 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4435327 0.82 MET (0.43) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4442956 0.82 MET (0.43) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4436080 0.81 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL13685500 0.79 MET (0.47) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4433397 0.75 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTHPGDMET
SCHEMBL4441905 0.74 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTHPGDMET

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 TNIK 530/4885ALDH1A1 1341/4885SMN1; SMN2 1841/4885

“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.