SCHEMBL4434071

SCHEMBL4434071

COC(=O)C(C#N)=C1CCCCN1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
IDO1 P14902 1/20 0.37
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 8/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL4434068 1.00 RAB9A (0.54) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL12987161 0.95 MAPT (0.54) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL12987162 0.95 MAPT (0.54) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL12987167 0.95 MAPT (0.54) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL5642488 0.79 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5641654 0.78 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL20400489 0.75 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29023461 0.72 MEN1 (0.35) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL6822954 0.69 NPC1 (0.46) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL7079886 0.69 NPC1 (0.73) RAB9ASMN1; SMN2NPC1HPGDMAPT

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 7 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-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
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 RAB9A 1898/4885SMN1; SMN2 1841/4885NPC1 3613/4885

“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.