SCHEMBL2707623

SCHEMBL2707623

COC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.82
ROCK2 O75116 1/20 0.82
MAPK12 P53778 1/20 0.82
MAPK11 Q15759 1/20 0.82
STRADA Q7RTN6 1/20 0.82

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
SCHEMBL14101236 0.94 MAPK14 (0.73) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4381769 0.94 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4382485 0.93 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4380029 0.92 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473101 0.92 MAPK14 (0.90) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4379726 0.92 MAPK14 (0.73) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4381570 0.91 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594799 0.91 MAPK14 (0.82) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6509799 0.91 MAPK14 (0.71) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL2708583 0.91 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
EP-2102161-B1 Processes for the preparation of 3-(4-(2,4-difluorobenzyloxy)-3-bromo-6-methyl- 2-oxopyridin-1(2H)-yl)-N,4-dimethylbenzamide PFIZER PROD INC (US) 2012-05-02 EP disclosed
EP-2102161-B1 Processes for the preparation of 3-(4-(2,4-difluorobenzyloxy)-3-bromo-6-methyl- 2-oxopyridin-1(2H)-yl)-N,4-dimethylbenzamide PFIZER PROD INC (US) 2012-05-02 EP disclosed
US-7906536-B2 Halogenation of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate or derivative; reacting with benzyl halide in solvent and base; chemical intermediates of 4-hydroxy-6-methylpyranone and methyl-3-amino-4-methyl benzoate; amidation, etherification, esterification; p38 kinase inhibitor PFIZER INC (US) 2011-03-15 US disclosed
US-7906536-B2 Halogenation of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate or derivative; reacting with benzyl halide in solvent and base; chemical intermediates of 4-hydroxy-6-methylpyranone and methyl-3-amino-4-methyl benzoate; amidation, etherification, esterification; p38 kinase inhibitor PFIZER INC (US) 2011-03-15 US disclosed
US-7906536-B2 Halogenation of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate or derivative; reacting with benzyl halide in solvent and base; chemical intermediates of 4-hydroxy-6-methylpyranone and methyl-3-amino-4-methyl benzoate; amidation, etherification, esterification; p38 kinase inhibitor PFIZER INC (US) 2011-03-15 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
EP-2102161-A2 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE Pfizer Products Incorporated (US) 2009-09-23 EP disclosed
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US disclosed
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US disclosed
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER, INC. 2008-07-24 US disclosed
WO-2008072079-A2 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER PRODUCTS INC. (US) 2008-06-19 WO disclosed
WO-2008072079-A2 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE PFIZER PRODUCTS INC. (US) 2008-06-19 WO disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885ROCK2 761/4885MAPK12 50/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885ROCK2 983/4885MAPK12 50/4885
US-20080177077-A1 PROCESSES FOR THE PREPARATION OF 3-(4-(2,4-DIFLUOROBENZYLOXY)-3-BROMO-6-METHYL-2-OXOPYRIDIN-1(2H)-YL)-N,4-DIMETHYLBENZAMIDE CYP4X1, CYP4B1, KDM4B MAPK14 2841/4885ROCK2 1833/4885MAPK12 2027/4885

“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.