SCHEMBL6704758

SCHEMBL6704758

CN1C(=O)N(Cc2ccccc2)Cc2cc(C#CCc3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
MMP13 P45452 10/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN1 Q05586 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL6706809 0.95 MMP13 (0.42) GRM5MMP13SLC22A8DRD3KCNH2
SCHEMBL6706842 0.94 MMP13 (0.48) GRM5MMP13SLC22A8
SCHEMBL6706100 0.92 MMP13 (0.42) GRM5MMP13SLC22A8
SCHEMBL6706890 0.92 MMP13 (0.55) GRM5MMP13SLC22A8FFAR1FFAR4
SCHEMBL5697101 0.91 MMP13 (0.41) GRM5MMP13SLC22A8
SCHEMBL6915307 0.90 MMP13 (0.39) GRM5MMP13SLC22A8DRD3KCNH2
SCHEMBL6706967 0.90 MMP13 (0.38) GRM5MMP13SLC22A8FFAR1FFAR4
SCHEMBL6704965 0.85 MMP13 (0.42) GRM5MMP13SLC22A8FFAR1FFAR4
SCHEMBL6705933 0.82 POLB (0.39) MMP13DRD3KCNH2
SCHEMBL6708293 0.82 PKM (0.38) GRM5MMP13FFAR1FFAR4

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 GRM5 672/4885MMP13 2/4885SLC22A8 1108/4885

“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.