SCHEMBL6913375

SCHEMBL6913375

Cn1c(=O)n(Cc2cccc(F)c2)c(=O)c2cc(C#CCc3ccncc3)sc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
MAPT P10636 9/20 0.43
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
MMP13 P45452 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
TP53 P04637 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL6470668 0.92 MAPT (0.44) MAPTHTTALDH1A1LMNAHPGD
SCHEMBL6472380 0.92 MAPT (0.48) MAPTHTTALDH1A1LMNAHPGD
SCHEMBL6467788 0.91 GRIN1 (0.49) GRIN1GRIN2BMAPT
SCHEMBL6730295 0.90 MAPT (0.44) MAPTHTTALDH1A1LMNAHPGD
SCHEMBL6265426 0.89 MMP13 (0.48) MAPTHTTALDH1A1MMP13SLC22A8
SCHEMBL6471574 0.89 MAPT (0.43) MAPTHTTALDH1A1LMNAHPGD
SCHEMBL6916166 0.89 MAPT (0.41) MAPTHTTALDH1A1LMNAHPGD
SCHEMBL6732883 0.89 MAPT (0.47) MAPTHTTALDH1A1LMNAHPGD
SCHEMBL6730586 0.88 MAPT (0.51) GRIN1GRIN2BMAPTHTTALDH1A1
SCHEMBL6916426 0.87 MAPT (0.53) MAPTHTTALDH1A1LMNAHPGD

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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US 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
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 (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 GRIN1 505/4885GRIN2B 613/4885MAPT 4800/4885
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 GRIN1 3153/4885GRIN2B 1299/4885MAPT 1774/4885

“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.