SCHEMBL6700576

SCHEMBL6700576

CN1C(=O)N(Cc2ccc(F)c(F)c2)Cc2nc(C#CCc3ccccc3)[nH]c21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 5/20 0.39
MAPK1 P28482 2/20 0.33
MAOB P27338 4/20 0.33
ADORA2A P29274 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
P2RX7 Q99572 1/20 0.33
GPR18 Q14330 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TP53 P04637 1/20 0.32
SOS1 Q07889 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
SCHEMBL6699940 0.94 MAPK1 (0.34) CLPPMAPK1MAOBADORA2ATLR7
SCHEMBL6699350 0.90 P2RX7 (0.35) MAPK1MAOBADORA2AP2RX7
SCHEMBL6818788 0.84 NPSR1 (0.38) CLPPGPR18
SCHEMBL6699931 0.80 CLPP (0.38) CLPPMAPK1MAOBADORA2ATP53
SCHEMBL6700606 0.80 CLPP (0.38) CLPPMAPK1P2RX7TP53
SCHEMBL6703428 0.79 ALDH1A1 (0.39) CLPPMAPK1TLR7PARP1PARP2
SCHEMBL6700327 0.78 CLPP (0.43) CLPP
SCHEMBL6706967 0.74 MMP13 (0.38) CLPP
SCHEMBL6696647 0.74 CLPP (0.35) CLPPMAPK1
SCHEMBL6698925 0.73 MAPK1 (0.35) CLPPMAPK1MAOBADORA2AP2RX7

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 3282/4885MAPK1 1571/4885MAOB 358/4885

“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.