SCHEMBL6735478

SCHEMBL6735478

Cn1c(=O)n(Cc2ccc(CC(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccncc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.50
PIK3CA P42336 1/20 0.50
MMP13 P45452 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPA1 O75762 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ROCK2 O75116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.43
BRPF1 P55201 1/20 0.43
NPY5R Q15761 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
SCHEMBL6432931 0.93 MMP13 (0.55) PARGPIK3CAMMP13SLC22A8HDAC1
SCHEMBL7017013 0.91 PARG (0.52) PARGPIK3CAMMP13SLC22A8HDAC1
SCHEMBL6730033 0.89 PARG (0.52) PARGPIK3CAMMP13SLC22A8HDAC1
SCHEMBL6724632 0.88 MMP13 (0.53) MMP13HDAC1ALDH1A1MAPTKDM4E
SCHEMBL7104610 0.86 PARG (0.50) PARGPIK3CAHDAC1ALDH1A1MAPK1
SCHEMBL7629854 0.86 PIK3CA (0.48) PARGPIK3CAMMP13SLC22A8MAPK1
SCHEMBL27605971 0.86 PARG (0.48) PARGPIK3CAMMP13SLC22A8HDAC1
SCHEMBL6517292 0.85 MAPT (0.59) PARGMMP13SLC22A8HDAC1ALDH1A1
SCHEMBL27588046 0.84 PIK3CA (0.51) PARGPIK3CAMMP13SLC22A8HDAC1
SCHEMBL7095851 0.84 MMP13 (0.65) PARGMMP13SLC22A8HDAC1MAPK1

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
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US 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 3624/4885PIK3CA 3707/4885MMP13 1/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 PARG 3777/4885PIK3CA 1232/4885MMP13 1/4885

“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.