SCHEMBL6706809

SCHEMBL6706809

CN1C(=O)N(Cc2ccc(Cl)cc2)Cc2cc(C#CCc3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
GRM5 P41594 1/20 0.40
DRD3 P35462 3/20 0.40
KCNH2 Q12809 3/20 0.40
DRD2 P14416 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL6704758 0.95 GRM5 (0.44) MMP13SLC22A8GRM5DRD3KCNH2
SCHEMBL6706842 0.91 MMP13 (0.48) MMP13SLC22A8GRM5
SCHEMBL6706100 0.89 MMP13 (0.42) MMP13SLC22A8GRM5
SCHEMBL6706890 0.89 MMP13 (0.55) MMP13SLC22A8GRM5
SCHEMBL6706967 0.89 MMP13 (0.38) MMP13SLC22A8GRM5
SCHEMBL6705933 0.88 POLB (0.39) MMP13DRD3KCNH2PTGDR2
SCHEMBL5697101 0.88 MMP13 (0.41) MMP13SLC22A8GRM5
SCHEMBL6917143 0.87 DRD3 (0.33) MMP13SLC22A8DRD3KCNH2
SCHEMBL6915307 0.87 MMP13 (0.39) MMP13SLC22A8GRM5DRD3KCNH2
SCHEMBL6704965 0.82 MMP13 (0.42) MMP13SLC22A8GRM5

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 2/4885SLC22A8 1108/4885GRM5 672/4885

“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.