SCHEMBL5209384

SCHEMBL5209384

COc1cccc(CNC(=O)c2ccnc(C(=O)NCc3cccc(OC)c3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.72
AURKA O14965 1/20 0.68
ROCK2 O75116 6/20 0.67
ROCK1 Q13464 4/20 0.67
PRKACA P17612 2/20 0.67
PRKX P51817 2/20 0.67
PRKCQ Q04759 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
GRK5 P34947 1/20 0.67
HPGD P15428 2/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL5213922 0.89 MMP13 (0.54) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL5210079 0.88 RAB9A (0.60) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL5212711 0.86 RAB9A (0.67) MMP13ROCK2CYP3A4CYP2C9HPGD
SCHEMBL5213931 0.86 ROCK2 (0.54) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL5213531 0.85 ROCK2 (0.69) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL1568252 0.85 ROCK2 (0.86) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL8358822 0.85 MMP13 (0.69) MMP13ROCK2ROCK1PRKACAPRKX
SCHEMBL9416645 0.84 MMP13 (0.94) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL31061610 0.84 MMP13 (1.00) MMP13AURKAROCK2ROCK1PRKACA
SCHEMBL5332068 0.84 MMP13 (1.00) MMP13AURKAROCK2ROCK1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-1455790-B1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-26 EP disclosed
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP disclosed
US-7015237-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-03-21 US disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-6881743-B2 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-04-19 US disclosed
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2004-10-21 US disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2003049738-A1 USE OF PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND OF PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR SELECTIVE COLLAGENASE INHIBITION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-19 WO disclosed
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-31 US disclosed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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 (4 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-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885AURKA 3986/4885ROCK2 449/4885
US-20040209922-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 MMP13 1/4885AURKA 3842/4885ROCK2 1398/4885
US-20020161000-A1 Pyridine matrix metalloproteinase inhibitors MMP13, MMP3, MMP11 MMP13 1/4885AURKA 3887/4885ROCK2 1264/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885AURKA 4198/4885ROCK2 362/4885

“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.