SCHEMBL4813347

SCHEMBL4813347

CCC(c1ccc(C(=O)NCc2cnc(C)cn2)cc1-c1ccc(C)cc1C(=O)OCc1ccccc1)c1c[nH]c2cc(C#N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.38
P2RX2 Q9UBL9 5/20 0.38
EP300 Q09472 8/20 0.36
HAT1 O14929 7/20 0.36
EGLN1 Q9GZT9 3/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4816125 0.90 P2RX3 (0.38) P2RX3P2RX2EGLN1ROCK2ROCK1
SCHEMBL4815682 0.89 CYP1A2 (0.41) EP300HAT1ROCK2ROCK1MEN1
SCHEMBL4811283 0.88 EP300 (0.40) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4814049 0.87 HAT1 (0.36) P2RX3P2RX2EP300HAT1EGLN1
SCHEMBL4815145 0.86 EP300 (0.41) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4812938 0.86 HAT1 (0.39) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815699 0.85 PTPRC (0.39) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4815512 0.83 HAT1 (0.35) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4811272 0.83 HAT1 (0.38) EP300HAT1MEN1ALDH1A1MAPT
SCHEMBL4817909 0.82 CYP1A2 (0.42) EGLN1ROCK2ROCK1MEN1ALDH1A1

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 5 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 disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO 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 1535/4885EP300 3029/4885

“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.