SCHEMBL4806024

SCHEMBL4806024

CCn1nc(Cc2ccc(C(=O)NCc3cnc(C)cn3)cc2-c2ccc(OC)cc2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
F7 P08709 2/20 0.41
PLG P00747 1/20 0.41
F3 P13726 1/20 0.41
P2RX3 P56373 12/20 0.40
P2RX2 Q9UBL9 12/20 0.40
ROCK2 O75116 1/20 0.37
MAPT P10636 2/20 0.35
F9 P00740 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4809282 0.92 P2RX3 (0.43) F2F10F7PLGF3
SCHEMBL4812948 0.88 F2 (0.43) F2F10F7PLGF3
SCHEMBL6393447 0.88 F2 (0.41) F2F10F7PLGF3
SCHEMBL4810537 0.86 ROCK2 (0.46) F2F10F7PLGF3
SCHEMBL4812577 0.81 F10 (0.41) F2F10F7PLGF3
SCHEMBL4815003 0.80 ALDH1A1 (0.38) F2F10F7PLGF3
SCHEMBL4810755 0.79 P2RX3 (0.43) F2F10F7PLGF3
SCHEMBL4812450 0.79 P2RX3 (0.40) F2F10F7PLGF3
SCHEMBL4811754 0.78 PIK3CA (0.46) F2F10F7F3ROCK2
SCHEMBL4813356 0.77 ROCK2 (0.45) F2F10F7F3ROCK2

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 F2 3/4885F10 12/4885F7 7/4885

“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.