SCHEMBL4443113

SCHEMBL4443113

CC1=C(C#N)C(c2cccc(C(=O)O)c2)C(C#N)=C(C2CCCN(C(N)=O)C2)N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 6/20 0.45
KMO O15229 1/20 0.41
PARP14 Q460N5 3/20 0.39
PARP10 Q53GL7 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
DRD3 P35462 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAP3K12 Q12852 1/20 0.34
DRD2 P14416 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
MET P08581 1/20 0.34
RPS6KA3 P51812 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
SCHEMBL4431498 0.93 MYC (0.45) MYCKMOPARP14PARP10ALDH1A1
SCHEMBL9888388 0.85 GLA (0.41) MYCPARP14PARP10ALDH1A1HPGD
SCHEMBL4997406 0.83 GLA (0.41) MYCPARP14PARP10ALDH1A1HPGD
SCHEMBL4993563 0.80 NOTCH1 (0.43) MAPTPARP1
SCHEMBL4436094 0.79 SMN1; SMN2 (0.49) KMOALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL9909120 0.77 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4433397 0.72 MAPT (0.50) KMOALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4443241 0.72 SMN1; SMN2 (0.49) ALDH1A1HPGDMAPTSMN1; SMN2PARP1
SCHEMBL9906929 0.70 ALDH1A1 (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4997390 0.70 SMN1; SMN2 (0.49) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E

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 MYC 86/4885KMO 2802/4885PARP14 3098/4885

“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.