SCHEMBL6517346

SCHEMBL6517346

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)O)cnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
PAX8 Q06710 1/20 0.56
ADORA3 P0DMS8 1/20 0.53
ADORA2B P29275 1/20 0.53
MMP13 P45452 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM4A O75164 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6514548 0.87 ALDH1A1 (0.54) ALDH1A1MAPTPKML3MBTL1MITF
SCHEMBL7145632 0.80 ALDH1A1 (0.60) ALDH1A1MAPTPKML3MBTL1MITF
SCHEMBL6241073 0.80 MMP13 (0.71) ALDH1A1PKMMMP13SLC22A8KDM4E
SCHEMBL6464565 0.77 MMP13 (0.60) ALDH1A1MAPTPKML3MBTL1MITF
SCHEMBL6255569 0.77 MMP13 (0.53) ALDH1A1PKML3MBTL1ADORA3ADORA2B
SCHEMBL17434340 0.77 KMT2A (0.58) ALDH1A1MAPTPKML3MBTL1MITF
SCHEMBL7627917 0.77 ALDH1A1 (0.50) ALDH1A1MAPTPKMLMNAADORA3
SCHEMBL6255601 0.74 MMP13 (0.74) ADORA3ADORA2BMMP13SLC22A8MEN1
SCHEMBL3556560 0.73 HDAC1 (0.67) MMP13SLC22A8
SCHEMBL6390382 0.73 MMP13 (0.57) ALDH1A1MAPTPKML3MBTL1MITF

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 8 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
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US 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 (5 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 ALDH1A1 1357/4885MAPT 4823/4885PKM 3792/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 ALDH1A1 4241/4885MAPT 2826/4885PKM 2902/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 ALDH1A1 3754/4885MAPT 2607/4885PKM 3021/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 ALDH1A1 2996/4885MAPT 1438/4885PKM 2249/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 ALDH1A1 2782/4885MAPT 1677/4885PKM 2265/4885

“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.