SCHEMBL7100003

SCHEMBL7100003

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc([S+]([O-])Cc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 5/20 0.53
MMP13 P45452 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
BRD4 O60885 1/20 0.43
TP53 P04637 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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 0.79 TP53 (0.63) PARGMMP13SLC22A8BRD4TP53
SCHEMBL7104450 0.78 PARG (0.56) PARGMMP13SLC22A8BRD4TP53
SCHEMBL19555085 0.77 MAPK8 (0.66) PARGTP53ADORA3ADORA2BMAPT
SCHEMBL6241073 0.76 MMP13 (0.71) PARGMMP13SLC22A8HPGDMAPK8
SCHEMBL7096209 0.75 PARG (0.66) PARGMMP13SLC22A8
SCHEMBL6256751 0.74 PARG (0.53) PARGMMP13SLC22A8BRD4TP53
SCHEMBL6245488 0.72 MMP13 (0.60) PARGMMP13SLC22A8TP53MAPT
SCHEMBL6514974 0.71 MMP13 (0.59) PARGMMP13SLC22A8MAPT
SCHEMBL10084678 0.71 TP53 (0.53) PARGMMP13SLC22A8TP53
SCHEMBL6517292 0.70 MAPT (0.59) PARGMMP13SLC22A8TP53MAPT

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 3 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
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
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 3624/4885MMP13 1/4885SLC22A8 315/4885

“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.