SCHEMBL6728070

SCHEMBL6728070

CN(C)c1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=O)O)cc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.46
DCLK1 O15075 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
RET P07949 1/20 0.46
FER P16591 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MAPK1 P28482 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
NEK4 P51957 1/20 0.46
CSNK1G2 P78368 1/20 0.46
MELK Q14680 1/20 0.46
NTRK3 Q16288 1/20 0.46
MINK1 Q8N4C8 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
SCHEMBL7038032 0.90 TRPA1 (0.56) TRPA1PRKD3MAP4K4CHEK2RET
SCHEMBL6430172 0.89 TRPA1 (0.48) TRPA1MAPTPPARGSMN1; SMN2KDM4E
SCHEMBL7021132 0.89 TRPA1 (0.57) TRPA1MAPTSMN1; SMN2MMP13SLC22A8
SCHEMBL6728256 0.88 TRPA1 (0.56) TRPA1MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6462371 0.87 MMP13 (0.52) TRPA1MAPKAPK2MAPTMMP13SLC22A8
SCHEMBL6465573 0.86 TRPA1 (0.46) TRPA1PPARGSMN1; SMN2MMP13SLC22A8
SCHEMBL6472154 0.86 MEN1 (0.43) TRPA1DCLK1PRKD3MAP4K4CHEK2
SCHEMBL7032080 0.86 CA2 (0.46) TRPA1PPARGSMN1; SMN2KDM4EPOLB
SCHEMBL6245168 0.84 TRPA1 (0.62) TRPA1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL6462194 0.84 TRPA1 (0.43) TRPA1KDM4EALDH1A1MMP13SLC22A8

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
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-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
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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE 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 (3 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 TRPA1 3888/4885DCLK1 4457/4885PRKD3 3511/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885DCLK1 3287/4885PRKD3 2475/4885
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 TRPA1 671/4885DCLK1 3371/4885PRKD3 3019/4885

“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.