SCHEMBL4812450

SCHEMBL4812450

CCn1cc(Cc2ccc(C(=O)NCc3cnc(C)cn3)cc2-c2ccc(Cl)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.40
P2RX2 Q9UBL9 12/20 0.40
ROCK2 O75116 1/20 0.36
WDR5 P61964 1/20 0.35
MAPK8 P45983 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 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
SCHEMBL4816180 0.94 P2RX3 (0.39) P2RX3P2RX2ROCK2WDR5MAPK8
SCHEMBL4810755 0.94 P2RX3 (0.43) P2RX3P2RX2WDR5F2F10
SCHEMBL6393447 0.91 F2 (0.41) P2RX3P2RX2ROCK2F2F10
SCHEMBL4809079 0.87 P2RX3 (0.43) P2RX3P2RX2WDR5
SCHEMBL4814044 0.83 P2RX3 (0.37) P2RX3P2RX2ROCK2WDR5
SCHEMBL4815144 0.83 PPARG (0.41) F10
SCHEMBL4808119 0.82 F2 (0.35) ROCK2F2F10PLGF7
SCHEMBL4809282 0.81 P2RX3 (0.43) P2RX3P2RX2WDR5F2F10
SCHEMBL4807167 0.81 F10 (0.42) F2F10PLGF7F3
SCHEMBL4807591 0.80 PIK3CA (0.39) ROCK2F2F10F7F3

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 P2RX3 1152/4885P2RX2 1535/4885ROCK2 1511/4885

“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.