SCHEMBL4996798

SCHEMBL4996798

OCc1cc2cn[nH]c2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.48
GSK3B P49841 3/20 0.48
CHEK1 O14757 2/20 0.48
PIM1 P11309 2/20 0.48
ROCK1 Q13464 2/20 0.48
CLK2 P49760 2/20 0.48
CDK5 Q00535 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
DYRK1B Q9Y463 2/20 0.48
JAK2 O60674 2/20 0.48
FGFR1 P11362 2/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
LCK P06239 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL15541878 0.81 CHEK1 (0.42) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL10235446 0.81 TRPA1 (0.43) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL13940969 0.81 CHEK1 (0.47) DYRK1AGSK3BCHEK1PIM1ROCK1
Hydrochloric Acid SCHEMBL7221088 0.79 CHEK1 (0.46) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL21938565 0.78 PIM1 (0.50) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL23119370 0.77 NOS1 (0.41) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL20627222 0.77 CHEK1 (0.39) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL21958565 0.74 CHEK1 (0.47) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL31391737 0.73 FGFR1 (0.40) DYRK1AGSK3BCHEK1PIM1ROCK1
SCHEMBL23901315 0.73 FGFR1 (0.40) DYRK1AGSK3BCHEK1PIM1ROCK1

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 9 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
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
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
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 DYRK1A 880/4885GSK3B 1493/4885CHEK1 756/4885

“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.