SCHEMBL6698566

SCHEMBL6698566

O=c1c2nc(C#CCc3ccccc3)[nH]c2ncn1Cc1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.47
PDPK1 O15530 7/20 0.41
CLPP Q16740 1/20 0.39
GRK2 P25098 1/20 0.39
PARN O95453 1/20 0.38
CNOT7 Q9UIV1 1/20 0.38

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
SCHEMBL6702609 0.93 MMP13 (0.46) MMP13PDPK1
SCHEMBL6704150 0.77 MDM4 (0.42) PDPK1PARNCNOT7
SCHEMBL6701275 0.77 IDO1 (0.48) MMP13PDPK1CLPP
SCHEMBL6701186 0.76 MMP13 (0.41) MMP13
SCHEMBL6298027 0.75 MMP13 (0.81) MMP13PDPK1
SCHEMBL6703285 0.74 MMP13 (0.60) MMP13
SCHEMBL6703449 0.74 MMP13 (0.52) MMP13
SCHEMBL6219427 0.73 MMP13 (0.42) MMP13PDPK1
SCHEMBL6814878 0.71 ALDH1A1 (0.41) MMP13
SCHEMBL6288786 0.70 PLA2G7 (0.35) MMP13CLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 13/4885PDPK1 2688/4885CLPP 3282/4885

“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.