SCHEMBL6697086

SCHEMBL6697086

Fc1ccc(CC#Cc2nc3c(o2)N=CN(Cc2ccc(F)cc2)C3)cc1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MMP13 P45452 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
SCHEMBL6699577 0.96 MMP13 (0.36) KDM4EPOLBGAAMAPTMMP13
SCHEMBL6703494 0.92 DRD4 (0.35) KDM4EPOLBGAA
SCHEMBL6818736 0.83 MAPT (0.32) POLBMAPT
SCHEMBL6700792 0.75 TP53 (0.33)
SCHEMBL6698939 0.71 CLPP (0.37) KDM4EPOLBGAAMAPTMMP13
SCHEMBL6705178 0.70 ALDH1A1 (0.32)
SCHEMBL6699527 0.70 ENPP2 (0.36) MMP13
SCHEMBL6703304 0.69
SCHEMBL6696654 0.65 MMP13 (0.38) KDM4EPOLBGAAMAPTMMP13
SCHEMBL6696796 0.65 RAB9A (0.38) KDM4EPOLBMAPTMMP13

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 KDM4E 1991/4885POLB 678/4885GAA 749/4885

“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.