SCHEMBL6288786

SCHEMBL6288786

Cn1cc(Cc2ccc(F)c(F)c2)c(=O)c2nc(C#CCc3ccccc3)[nH]c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.35
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
MPO P05164 1/20 0.32
CLPP Q16740 2/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
P2RX7 Q99572 2/20 0.30
MMP13 P45452 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
SCHEMBL6289382 0.84 MMP13 (0.38) PLA2G7PDE3BPDE3AMMP13
SCHEMBL6289335 0.80 PDE3B (0.38) PLA2G7PDE3BPDE3AADRA1AHRH1
SCHEMBL6289368 0.78 KDM5A (0.38) PLA2G7ADRA1AHRH1ADRA1BMPO
SCHEMBL6289023 0.77 CNR2 (0.41) MMP13
SCHEMBL6701186 0.76 MMP13 (0.41) PDE3BPDE3AMMP13
SCHEMBL6289024 0.73 PLA2G7 (0.33) PLA2G7PDE3BPDE3AADRA1AHRH1
SCHEMBL6292736 0.73 PLA2G7 (0.33) PLA2G7
SCHEMBL6814878 0.71 ALDH1A1 (0.41) MMP13
SCHEMBL6489375 0.70 GRM4 (0.33) PLA2G7ADRA1AHRH1ADRA1BMPO
SCHEMBL6698566 0.70 MMP13 (0.47) CLPPMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 PLA2G7 189/4885PDE3B 1507/4885PDE3A 1554/4885

“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.