SCHEMBL6907517

SCHEMBL6907517

O=C(OCc1ccccc1)c1cc2c(=O)n(Cc3nc4ncccc4[nH]3)c(=O)[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH2 Q8IWU9 2/20 0.42
TPH1 P17752 1/20 0.42
MMP13 P45452 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
PRMT5 O14744 2/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6258767 0.88 GRIN2B (0.44) TPH2TPH1MMP13ADORA3RAB9A
SCHEMBL6252407 0.85 MMP13 (0.45) MMP13ADORA3TSHRCASP3RAB9A
SCHEMBL6472242 0.83 ADORA2B (0.42) MMP13ADORA3TSHRCASP3RAB9A
SCHEMBL6258644 0.82 MMP13 (0.54) MMP13TSHRL3MBTL1KDM4EALDH1A1
SCHEMBL6259959 0.81 MMP13 (0.49) MMP13TSHRL3MBTL1KDM4EALDH1A1
SCHEMBL6532276 0.81 MAPT (0.45) TPH2TPH1MMP13KDM4EALDH1A1
SCHEMBL6255608 0.81 MMP13 (0.43) MMP13ADORA3TSHRL3MBTL1KDM4E
SCHEMBL6471062 0.80 MMP13 (0.42) MMP13ADORA3TSHRCASP3RAB9A
SCHEMBL6724945 0.79 MMP13 (0.41) MMP13ADORA3TSHRCASP3RAB9A
SCHEMBL6255363 0.78 MMP13 (0.44) MMP13ADORA3TSHRL3MBTL1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TPH2 1366/4885TPH1 1125/4885MMP13 1/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 TPH2 624/4885TPH1 1303/4885MMP13 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.