SCHEMBL7017013

SCHEMBL7017013

Cn1c(=O)n(Cc2ccncc2)c(=O)c2cc(C(=O)NCc3ccc(O)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.52
PIK3CA P42336 1/20 0.49
HDAC1 Q13547 2/20 0.48
ROCK2 O75116 1/20 0.46
MMP13 P45452 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RORC P51449 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRPF1 P55201 1/20 0.45
TRPA1 O75762 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6432931 0.92 MMP13 (0.55) PARGPIK3CAHDAC1ROCK2MMP13
SCHEMBL6735478 0.91 PARG (0.50) PARGPIK3CAHDAC1ROCK2MMP13
SCHEMBL6730033 0.91 PARG (0.52) PARGPIK3CAHDAC1ROCK2MMP13
SCHEMBL7100567 0.90 MMP13 (0.56) PARGHDAC1MMP13SLC22A8RORC
SCHEMBL6737183 0.90 MMP13 (0.56) PARGHDAC1MMP13SLC22A8RORC
SCHEMBL27605971 0.90 PARG (0.48) PARGPIK3CAHDAC1ROCK2MMP13
SCHEMBL7104610 0.88 PARG (0.50) PARGPIK3CAHDAC1ALDH1A1RORC
SCHEMBL7629854 0.86 PIK3CA (0.48) PARGPIK3CAMMP13SLC22A8MAPK1
SCHEMBL6517292 0.85 MAPT (0.59) PARGHDAC1MMP13SLC22A8ALDH1A1
SCHEMBL27588046 0.84 PIK3CA (0.51) PARGPIK3CAHDAC1ROCK2MMP13

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 4 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
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 3624/4885PIK3CA 3707/4885HDAC1 550/4885

“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.