SCHEMBL6704262

SCHEMBL6704262

COc1ccc(CC#Cc2nc3c(s2)N(C)C(=O)N(Cc2ccc(F)c(F)c2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.36
MAPK1 P28482 1/20 0.34
PDPK1 O15530 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE5A O76074 1/20 0.32

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
SCHEMBL6814225 0.97 P2RX7 (0.35) P2RX7MAPK1PDPK1MAPTMEN1
SCHEMBL6698925 0.91 MAPK1 (0.35) P2RX7MAPK1PDPK1
SCHEMBL6700135 0.90 MAPK1 (0.35) P2RX7MAPK1HDAC6
SCHEMBL6700606 0.90 CLPP (0.38) P2RX7MAPK1PDPK1
SCHEMBL6702121 0.82 ABCB1 (0.34) P2RX7MAPK1PDPK1HDAC6MAPT
SCHEMBL6699350 0.81 P2RX7 (0.35) P2RX7MAPK1PDE5A
SCHEMBL6700334 0.76 ABCB1 (0.36) P2RX7MAPK1HDAC6
SCHEMBL6700986 0.75 MAPK1 (0.36) MAPK1
SCHEMBL6700612 0.72 MAPK1 (0.31) MAPK1
SCHEMBL6696647 0.72 CLPP (0.35) MAPK1

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 P2RX7 404/4885MAPK1 1571/4885PDPK1 2688/4885

“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.