SCHEMBL4815019

SCHEMBL4815019

CCC(c1ccc(C(=O)NCc2ncccn2)cc1-c1ccc(C)cc1C(=O)O)c1n[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 16/20 0.36
F10 P00742 15/20 0.36
F3 P13726 15/20 0.36
F2 P00734 14/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PLG P00747 6/20 0.35
F11 P03951 1/20 0.35
APLNR P35414 1/20 0.34

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
SCHEMBL4812966 0.91 F2 (0.44) F7F10F3F2PRSS1
SCHEMBL4811761 0.89 PKM (0.42) F7F10F3F2
SCHEMBL4809295 0.88 P2RX3 (0.37) F7F10F3F2ITGB3
SCHEMBL4808138 0.88 F7 (0.38) F7F10F3F2PRSS1
SCHEMBL4816075 0.84 F10 (0.37) F7F10F3F2PRSS1
SCHEMBL4813372 0.82 EIF4E (0.41) F7F10F3F2
SCHEMBL4812155 0.81 F2 (0.37) F7F10F3F2PRSS1
SCHEMBL4806037 0.80 F10 (0.42) F7F10F3F2PRSS1
SCHEMBL4810545 0.80 GAA (0.44) F7F10F3F2PLG
SCHEMBL4815154 0.80 RAB9A (0.42) F7F10F3F2PRSS1

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-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed

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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 F7 7/4885F10 12/4885F3 10/4885

“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.