SCHEMBL2706985

SCHEMBL2706985

Cc1ccc(C(=O)O)cc1-n1c(C)cc(O)c(Br)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MYC P01106 4/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.47
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK14 Q16539 3/20 0.44
ROCK2 O75116 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
STRADA Q7RTN6 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.40

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
SCHEMBL12798301 0.89 MAPK14 (0.44) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL12798413 0.86 MAPK14 (0.45) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL2707694 0.86 ALDH1A1 (0.56) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL13678587 0.85 ALDH1A1 (0.54) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL14189583 0.84 ALDH1A1 (0.53) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL27758375 0.80 MYC (0.38) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL4580641 0.79 MAPK14 (0.38) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL12798353 0.79 ALDH1A1 (0.57) ALDH1A1POLBAPEX1TDP1L3MBTL1
SCHEMBL6646966 0.78 MYC (0.51) MYCMAPK14ROCK2MAPK12MAPK11
SCHEMBL4382040 0.77 NR4A1 (0.54) ALDH1A1POLBAPEX1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US 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
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 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
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 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 (2 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 ALDH1A1 1197/4885POLB 619/4885APEX1 3000/4885
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 ALDH1A1 1589/4885POLB 862/4885APEX1 3225/4885

“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.