SCHEMBL4433771

SCHEMBL4433771

CC1=C(C#N)C(c2cccc(NC(=O)c3cccnc3)c2)C(C#N)=C(C)N1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.56
HTT P42858 2/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 3/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
BRAF P15056 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL4431544 0.92 BRAF (0.54) KCNK3TSHRALDH1A1BRAFLMNA
SCHEMBL4441943 0.89 KCNK3 (0.54) KCNK3HTTKMT2AMEN1SMN1; SMN2
SCHEMBL4997721 0.84 NT5E (0.54) KCNK3HTTKMT2AMEN1RAB9A
SCHEMBL4995660 0.82 BRAF (0.49) KMT2AMEN1RAB9ASMN1; SMN2POLB
SCHEMBL4433365 0.82 SMN1; SMN2 (0.53) HTTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4435333 0.81 GRM4 (0.58) KCNK3RAB9ASMN1; SMN2POLBNPC1
SCHEMBL4989202 0.81 SMN1; SMN2 (0.47) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4435113 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBLMNAMAPK1
SCHEMBL4993436 0.81 CASP1 (0.49) HTTKMT2ARAB9ATSHRSMN1; SMN2
SCHEMBL4997666 0.80 HSD17B10 (0.47) HTTKMT2AMEN1RAB9ASMN1; 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 8 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
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
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 KCNK3 2385/4885HTT 2390/4885KMT2A 1709/4885

“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.