SCHEMBL6697077

SCHEMBL6697077

Fc1ccc(CC#Cc2nc3c([nH]2)N=CN(Cc2ccc(F)cc2)C3)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.31
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
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL6698939 0.96 CLPP (0.37) CLPPKDM4EPOLBGAAMAPT
SCHEMBL6703233 0.82 MMP13 (0.39) KDM4EMMP13
SCHEMBL6697086 0.74 KDM4E (0.30) KDM4EPOLBGAAMAPTMMP13
SCHEMBL6699577 0.71 MMP13 (0.36) CLPPKDM4EPOLBGAAMAPT
SCHEMBL6700350 0.70 ALDH1A1 (0.32) CLPP
SCHEMBL6703494 0.68 DRD4 (0.35) KDM4EPOLBGAA
SCHEMBL6699557 0.68 TP53 (0.47) CLPPKDM4EPOLBMAPT
SCHEMBL6696654 0.65 MMP13 (0.38) KDM4EPOLBGAAMAPTMMP13
SCHEMBL6485453 0.64 DRD4 (0.37) CLPPGAAMAPT
SCHEMBL6699940 0.63 MAPK1 (0.34) CLPPPOLB

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 1 patent. 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

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 CLPP 3282/4885KDM4E 1991/4885POLB 678/4885

“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.