SCHEMBL6239371

SCHEMBL6239371

COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(S(=O)(=O)NCCN(C)C)cc2)c(=O)n3C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 5/20 0.48
KMT2A Q03164 3/20 0.46
OPRK1 P41145 4/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP13 P45452 2/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
RORC P51449 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL6446284 0.97 RORC (0.47) PARGKMT2AOPRK1CYP3A4NPSR1
SCHEMBL6254858 0.88 RORC (0.55) PARGKMT2AMMP13MAPTMEN1
SCHEMBL6258510 0.87 KMT2A (0.51) PARGKMT2ANPSR1MMP13MAPT
SCHEMBL7631458 0.86 RORC (0.56) PARGKMT2AMMP13MAPTMEN1
SCHEMBL6234634 0.86 MMP13 (0.58) KMT2AMMP13MAPTMEN1KDM4E
SCHEMBL6472829 0.86 MAPT (0.57) PARGKMT2AMMP13MAPTMEN1
SCHEMBL7016303 0.84 MMP13 (0.48) PARGKMT2AMMP13MAPTMEN1
SCHEMBL6257490 0.84 MMP13 (0.52) PARGKMT2AMMP13MAPTMEN1
SCHEMBL6258069 0.84 MMP13 (0.52) KMT2AMMP13MAPTMEN1KDM4E
SCHEMBL7020566 0.84 MAPT (0.54) KMT2AMMP13MAPTMEN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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 (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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 PARG 3624/4885KMT2A 3258/4885OPRK1 175/4885

“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.