SCHEMBL7101052

SCHEMBL7101052

COc1cccc(CNC(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.61
ROCK2 O75116 7/20 0.60
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
MALT1 Q9UDY8 2/20 0.54
ADORA2A P29274 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PRKACA P17612 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53

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
SCHEMBL6253500 0.89 MAPT (0.56) MMP13MAPTMEN1ALDH1A1KMT2A
SCHEMBL7100061 0.83 MMP13 (0.55) MMP13ROCK2TP53RXFP1LMNA
SCHEMBL18901405 0.80 ROCK2 (0.63) MMP13ROCK2MAPTMEN1ALDH1A1
SCHEMBL6254956 0.80 MAPT (0.56) MMP13ROCK2MAPTALDH1A1TP53
SCHEMBL6736771 0.78 MAPT (0.61) MMP13ROCK2MAPTMEN1ALDH1A1
SCHEMBL6527743 0.78 MAPT (0.64) MMP13ROCK2MAPTMEN1ALDH1A1
SCHEMBL6255550 0.78 MAPT (0.61) MMP13ROCK2MAPTMEN1ALDH1A1
SCHEMBL31061610 0.77 MMP13 (1.00) MMP13ROCK2MEN1ALDH1A1KMT2A
SCHEMBL9416645 0.77 MMP13 (0.94) MMP13ROCK2MEN1ALDH1A1KMT2A
SCHEMBL5332068 0.77 MMP13 (1.00) MMP13ROCK2MEN1ALDH1A1KMT2A

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 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 (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 MMP13 1/4885ROCK2 2764/4885MAPT 4823/4885

“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.