SCHEMBL6698006

SCHEMBL6698006

COc1cc(CNC(=O)c2nc3c(o2)N=CN(Cc2ccc(C(=O)O)cc2)C3)ccn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.49
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
EPHX2 P34913 3/20 0.39
TRPA1 O75762 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PTGER4 P35408 2/20 0.38
WDR5 P61964 1/20 0.37

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
SCHEMBL6702617 0.85 MMP13 (0.41) MMP13GSK3BPTGER4
SCHEMBL6704900 0.82 MMP13 (0.49) MMP13CDK2GSK3BEPHX2TRPA1
SCHEMBL6819967 0.82 MMP13 (0.39) MMP13GSK3BPTGER4
SCHEMBL6819953 0.81 MMP13 (0.38) MMP13GSK3BPTGER4
SCHEMBL6819957 0.80 NPC1 (0.46) MMP13GSK3B
SCHEMBL6696733 0.79 MMP13 (0.49) MMP13CDK2GSK3BEPHX2TRPA1
SCHEMBL6813882 0.74 MMP13 (0.44) MMP13CDK2GSK3BEPHX2TRPA1
SCHEMBL6292169 0.72 MMP13 (0.50) MMP13CDK2GSK3BNR1H4
SCHEMBL6348866 0.71 MMP13 (0.51) MMP13CDK2GSK3BEPHX2TRPA1
SCHEMBL6698886 0.71 MMP13 (0.51) MMP13CDK2GSK3BEPHX2TRPA1

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885CDK2 84/4885GSK3B 2493/4885

“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.