SCHEMBL4433397

SCHEMBL4433397

CC1=C(C#N)C(c2cccc(C(=O)O)c2)C(C#N)=C(c2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MET P08581 2/20 0.45
DRD5 P21918 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
CACNA1B Q00975 1/20 0.42
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 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
SCHEMBL4443671 0.92 MET (0.45) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4431525 0.92 MET (0.45) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4441905 0.91 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4431472 0.89 MAPT (0.47) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4436094 0.89 SMN1; SMN2 (0.49) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4441941 0.88 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4992792 0.87 ALDH1A1 (0.46) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4435327 0.81 MET (0.43) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4442956 0.81 MET (0.43) MAPTALDH1A1HPGDSMN1; SMN2MET
SCHEMBL4995786 0.80 MAPT (0.40) MAPTALDH1A1HPGDSMN1; SMN2MET

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP claimed
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 CN claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP disclosed
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 CN disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 MAPT 1550/4885ALDH1A1 1341/4885HPGD 2338/4885

“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.