SCHEMBL4806037

SCHEMBL4806037

CCC(c1ccc(C(=O)NCc2cnc(C)cn2)cc1-c1ccc(OC)cc1C(=O)O)c1n[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.42
F7 P08709 6/20 0.42
F2 P00734 6/20 0.42
F3 P13726 5/20 0.42
PLG P00747 2/20 0.42
MAPT P10636 1/20 0.38
F11 P03951 2/20 0.34
F9 P00740 1/20 0.34
PLAU P00749 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
NAMPT P43490 1/20 0.34
ROCK2 O75116 4/20 0.33
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33

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
SCHEMBL4809295 0.92 P2RX3 (0.37) F10F7F2F3PLG
SCHEMBL6393454 0.89 F10 (0.44) F10F7F2F3PLG
SCHEMBL5254156 0.89 MEN1 (0.36) F10F7F2F3PLG
SCHEMBL4812966 0.88 F2 (0.44) F10F7F2F3PLG
SCHEMBL4810545 0.86 GAA (0.44) F10F7F2F3PLG
SCHEMBL5252353 0.84 MAPT (0.34) F3MAPTNAMPTROCK2P2RX3
SCHEMBL4812583 0.81 F10 (0.42) F10F7F2F3PLG
SCHEMBL4810767 0.81 P2RX3 (0.38) F10F7F2F3PLG
SCHEMBL4815019 0.80 F7 (0.36) F10F7F2F3PLG
SCHEMBL4812462 0.80 F7 (0.37) F10F7F2F3PLG

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 4 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
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
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 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-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 F10 12/4885F7 7/4885F2 3/4885

“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.