SCHEMBL6509576

SCHEMBL6509576

COc1ccc(CNC(=O)c2cnc3c(c2)c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 3/20 0.56
PKM P14618 2/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
MMP13 P45452 5/20 0.52
LMNA P02545 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
PAX8 Q06710 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR2 P34972 1/20 0.49
PDE1B Q01064 1/20 0.47
POLB P06746 2/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6464565 0.91 MMP13 (0.60) MAPTALDH1A1PKMMAPK1MMP13
SCHEMBL6518748 0.91 MMP13 (0.54) MAPTALDH1A1PKMMAPK1MEN1
SCHEMBL6258768 0.89 MMP13 (0.50) MAPTALDH1A1PKMMAPK1MEN1
SCHEMBL6255321 0.85 MAPT (0.54) MAPTALDH1A1PKMMAPK1MEN1
SCHEMBL6234634 0.80 MMP13 (0.58) MAPTALDH1A1MEN1KMT2AMMP13
SCHEMBL6257259 0.80 TRPA1 (0.54) MAPTALDH1A1PKMMAPK1MEN1
SCHEMBL6254390 0.78 MAPT (0.52) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL6520748 0.78 HPGD (0.61) MAPTALDH1A1MEN1KMT2AMMP13
SCHEMBL6254595 0.77 POLB (0.54) MAPTALDH1A1MMP13RXFP1TP53
SCHEMBL6255332 0.77 MMP13 (0.63) MAPTALDH1A1MEN1KMT2AMMP13

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
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
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

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 MAPT 4823/4885ALDH1A1 1357/4885PKM 3792/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MAPT 2826/4885ALDH1A1 4241/4885PKM 2902/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MAPT 2607/4885ALDH1A1 3754/4885PKM 3021/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MAPT 1438/4885ALDH1A1 2996/4885PKM 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 MAPT 1677/4885ALDH1A1 2782/4885PKM 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.