SCHEMBL6706938

SCHEMBL6706938

CN1C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)Cc2cc(C#CCn3ccnc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CYP19A1 P11511 2/20 0.35
TBXAS1 P24557 1/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL6919220 0.87 MMP13 (0.40) MMP13FNTAFNTBCYP19A1CYP11B1
SCHEMBL6706896 0.85 CYP3A4 (0.36) MMP13PKMPKLR
SCHEMBL5697101 0.81 MMP13 (0.41) MMP13PKM
SCHEMBL6705933 0.81 POLB (0.39) MMP13PKMPKLR
SCHEMBL6706048 0.81 MMP13 (0.37) MMP13PKMPKLR
SCHEMBL6708293 0.79 PKM (0.38) MMP13PKM
SCHEMBL6704758 0.71 GRM5 (0.44) MMP13
SCHEMBL6704915 0.71 ERCC5 (0.44)
SCHEMBL6706809 0.69 MMP13 (0.42) MMP13
SCHEMBL6706842 0.69 MMP13 (0.48) MMP13FNTAFNTBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US claimed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (1 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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 MMP13 2/4885FNTA 2502/4885FNTB 3833/4885

“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.