SCHEMBL6232314

SCHEMBL6232314

CC(c1ccc(CC(=O)O)cc1)n1c(=O)[nH]c2ccc(C(=O)NCc3ccncc3)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.46
MAPK1 P28482 2/20 0.44
MAPK3 P27361 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
PARP1 P09874 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 2/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL6432942 0.92 MAPK1 (0.46) B3GNT2MAPK1MAPK3RXFP1PARP1
SCHEMBL6235392 0.89 MEN1 (0.54) B3GNT2MAPTKDM4EALDH1A1GLA
SCHEMBL6233923 0.89 NAMPT (0.46) B3GNT2MAPK1MAPK3RXFP1PARP1
SCHEMBL27605972 0.87 B3GNT2 (0.44) B3GNT2MAPK1MAPK3RXFP1PARP1
SCHEMBL7104616 0.86 NAMPT (0.46) B3GNT2MAPK1MAPK3PARP1MAPT
SCHEMBL7629865 0.86 MAPK1 (0.43) B3GNT2MAPK1MAPK3RXFP1PARP1
SCHEMBL6237752 0.84 B3GNT2 (0.49) B3GNT2MAPK1RXFP1MAPTKDM4E
SCHEMBL6236097 0.84 RXFP1 (0.51) B3GNT2RXFP1MAPTKDM4EALDH1A1
SCHEMBL6468075 0.82 B3GNT2 (0.47) B3GNT2RXFP1MAPTKDM4EALDH1A1
SCHEMBL6239501 0.82 MEN1 (0.56) B3GNT2MAPTKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
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
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN 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
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
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 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 (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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 B3GNT2 1313/4885MAPK1 1676/4885MAPK3 1031/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 B3GNT2 2950/4885MAPK1 1029/4885MAPK3 466/4885

“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.