SCHEMBL4580641

SCHEMBL4580641

Cc1ccc(C(=O)n2ccnc2)cc1-n1c(C)cc(O)c(Br)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.38
ROCK2 O75116 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
STRADA Q7RTN6 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
ABL1 P00519 1/20 0.34
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
MYC P01106 1/20 0.32
ALPG P10696 2/20 0.31
ALPI P09923 1/20 0.31
PLAA Q9Y263 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL2706985 0.79 ALDH1A1 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL12798301 0.79 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL12798413 0.76 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL2707694 0.76 ALDH1A1 (0.56) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL31381798 0.70 MAPK14 (0.36) MAPK14L3MBTL1
SCHEMBL9807751 0.67 CYP19A1 (0.46) TDP1L3MBTL1ALPGALPIPLAA
SCHEMBL4382362 0.67 MAPK14 (0.46) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL27758375 0.66 MYC (0.38) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4808545 0.66 CYP19A1 (0.48) ALDH1A1TDP1LMNAHPGD
SCHEMBL11106769 0.66 MAOB (0.46) ALDH1A1TDP1LMNA

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
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
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-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

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-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.