SCHEMBL6706896

SCHEMBL6706896

CN1C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)Cc2cc(C#CCc3ccncc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
MMP13 P45452 2/20 0.35
PARG Q86W56 3/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADORA2B P29275 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32

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
SCHEMBL5697101 0.91 MMP13 (0.41) PKMMMP13PRMT5WDR77ERCC5
SCHEMBL6705933 0.91 POLB (0.39) PKMPKLRMMP13PARGPRMT5
SCHEMBL6706048 0.90 MMP13 (0.37) PKMPKLRMMP13PARGPRMT5
SCHEMBL6706938 0.85 MMP13 (0.41) PKMPKLRMMP13
SCHEMBL6708293 0.83 PKM (0.38) PKMMMP13PRMT5WDR77ERCC5
SCHEMBL6704758 0.81 GRM5 (0.44) MMP13SLC22A8
SCHEMBL6706809 0.79 MMP13 (0.42) MMP13SLC22A8
SCHEMBL6706842 0.78 MMP13 (0.48) MMP13PRMT5WDR77SLC22A8
SCHEMBL6917143 0.77 DRD3 (0.33) MMP13SLC22A8
SCHEMBL6915307 0.77 MMP13 (0.39) MMP13SLC22A8

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 3 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
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 CYP3A4 708/4885CYP2C9 579/4885PKM 1034/4885

“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.