Sugi Predict

Sugi Predict / Compounds / SCHEMBL4680637

SCHEMBL4680637

SCHEMBL4680637

COC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)(C)C)cn2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.72
▸ CYP2C9 P11712 11/20 0.72
▸ MAPK11 Q15759 3/20 0.72
▸ BUB1 O43683 1/20 0.72
▸ PRKACG P22612 1/20 0.72
▸ MAPKAPK2 P49137 1/20 0.72
▸ ACSL5 Q9ULC5 1/20 0.72
▸ STK24 Q9Y6E0 1/20 0.72
▸ GABRA5 P31644 5/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL4686938 0.89 MAPK14 (0.75) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL14077635 0.89 MAPK14 (0.75) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448612 0.87 MAPK14 (0.77) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448733 0.85 MAPK14 (0.72) MAPK14CYP2C9MAPK11BUB1PRKACG
Losmapimod SCHEMBL29888732 0.84 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
Losmapimod SCHEMBL29367949 0.84 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
Losmapimod SCHEMBL1070401 0.84 MAPK14 (1.00) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20460604 0.83 MAPK14 (0.67) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL20448678 0.82 MAPK14 (0.86) MAPK14CYP2C9MAPK11BUB1PRKACG
SCHEMBL4681674 0.81 MAPK14 (0.66) MAPK14CYP2C9MAPK11BUB1PRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367542-A1 NICOTINAMIDE DERIVATE IN THE TREATMENT OF ACUTE CORONARY SYNDROME GLAXOSMITHKLINE LLC (US) 2016-12-22 — — US disclosed
US-20150209337-A1 NICOTINAMIDE DERIVATE IN THE TREATMENT OF ACUTE CORONARY SYNDROME GLAXOSMITHKLINE LLC 2015-07-30 — — US disclosed
US-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide CHANDI AMRIK 2008-09-04 — — US disclosed
WO-2008071665-A1 A NICOTINAMIDE DERIVATIVE USEFUL AS P38 KINASE INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2008-06-19 — — WO disclosed
EP-1891061-A1 N-(2, 2-DIMETHYLPROPYL) -6- (3-FLUORO-5- ( (3-ISOXAZOLYLAMINO) CARBONYL) -2-METHYLPHENY L) -3-PYRIDINECARBOXAMIDE SmithKline Beecham Corporation (US) 2008-02-27 — — EP disclosed
WO-2006134382-A1 N-(2, 2-DIMETHYLPROPYL) -6- (3-FLUORO-5- ( (3-ISOXAZOLYLAMINO) CARBONYL) -2-METHYLPHENY L) -3-PYRIDINECARBOXAMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-12-21 — — 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 (3 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-20150209337-A1 NICOTINAMIDE DERIVATE IN THE TREATMENT OF ACUTE CORONARY SYNDROME NNT, NAMPT, NADK MAPK14 2401/4885CYP2C9 2129/4885MAPK11 1436/4885
US-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide MAPKAPK2, MAP3K2, MAP4K2 MAPK14 33/4885CYP2C9 4135/4885MAPK11 40/4885
US-20160367542-A1 NICOTINAMIDE DERIVATE IN THE TREATMENT OF ACUTE CORONARY SYNDROME NNT, NAMPT, NADK MAPK14 2280/4885CYP2C9 1839/4885MAPK11 1339/4885

“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.