SCHEMBL6256751

SCHEMBL6256751

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(SCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.53
MMP13 P45452 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BRD4 O60885 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
TP53 P04637 2/20 0.44
BRAF P15056 1/20 0.44
PIK3CG P48736 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 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
SCHEMBL10084721 0.81 TP53 (0.63) PARGMMP13SLC22A8MAPTBRD4
SCHEMBL7104450 0.80 PARG (0.56) PARGMMP13SLC22A8MAPTBRD4
SCHEMBL19555085 0.79 MAPK8 (0.66) PARGMAPTADORA3ADORA2BTP53
SCHEMBL6241073 0.78 MMP13 (0.71) PARGMMP13SLC22A8ALDH1A1HPGD
SCHEMBL7096209 0.75 PARG (0.66) PARGMMP13SLC22A8PIK3CG
SCHEMBL6245488 0.74 MMP13 (0.60) PARGMMP13SLC22A8MAPTALDH1A1
SCHEMBL7100003 0.74 PARG (0.53) PARGMMP13SLC22A8MAPTBRD4
SCHEMBL7100728 0.74 MMP13 (0.52) PARGMMP13SLC22A8BRAFPIK3CG
SCHEMBL6514974 0.73 MMP13 (0.59) PARGMMP13SLC22A8MAPTALDH1A1
SCHEMBL10084678 0.72 TP53 (0.53) PARGMMP13SLC22A8TP53

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 9 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
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US 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
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 PARG 3624/4885MMP13 1/4885SLC22A8 315/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 PARG 4866/4885MMP13 1/4885SLC22A8 1655/4885

“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.