SCHEMBL4814049

SCHEMBL4814049

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 5/20 0.36
EP300 Q09472 5/20 0.36
WDR5 P61964 1/20 0.35
SNCA P37840 1/20 0.35
P2RX3 P56373 5/20 0.35
P2RX2 Q9UBL9 5/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
EGLN1 Q9GZT9 3/20 0.35
NR4A2 P43354 1/20 0.35
MAPT P10636 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
SCHEMBL4816183 0.90 MAPK8 (0.36) HAT1EP300WDR5P2RX3P2RX2
SCHEMBL4813347 0.87 P2RX3 (0.38) HAT1EP300P2RX3P2RX2ROCK2
SCHEMBL4809835 0.85 SPR (0.45) HAT1EP300SNCANR4A2MAPT
SCHEMBL4812462 0.84 F7 (0.37) WDR5P2RX3P2RX2
SCHEMBL4810138 0.81 NR4A2 (0.40) HAT1EP300SNCANR4A2MAPT
SCHEMBL4810767 0.79 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL6393454 0.78 F10 (0.44) P2RX3P2RX2ROCK2MAPT
SCHEMBL4809059 0.77 MEN1 (0.44) HAT1EP300ROCK2ROCK1EGLN1
SCHEMBL4805983 0.77 EP300 (0.38) HAT1EP300ROCK2MAPT
SCHEMBL4816125 0.76 P2RX3 (0.38) WDR5P2RX3P2RX2ROCK2ROCK1

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 HAT1 969/4885EP300 3029/4885WDR5 3876/4885

“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.