SCHEMBL4816183

SCHEMBL4816183

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
NR4A2 P43354 1/20 0.35
WDR5 P61964 2/20 0.35
MAPT P10636 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
SPR P35270 1/20 0.34
P2RX3 P56373 7/20 0.34
P2RX2 Q9UBL9 7/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
HAT1 O14929 1/20 0.34
EP300 Q09472 1/20 0.34
KLKB1 P03952 1/20 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
SCHEMBL4812462 0.95 F7 (0.37) WDR5ITGB3ITGA2BSPRP2RX3
SCHEMBL4814049 0.90 HAT1 (0.36) NR4A2WDR5MAPTP2RX3P2RX2
SCHEMBL6393454 0.89 F10 (0.44) MAPTITGB3ITGA2BP2RX3P2RX2
SCHEMBL4810767 0.89 P2RX3 (0.38) ITGB3ITGA2BP2RX3P2RX2
SCHEMBL4813398 0.78 F7 (0.47)
SCHEMBL4811016 0.78 F7 (0.46) ITGB3ITGA2B
SCHEMBL4806037 0.78 F10 (0.42) MAPTITGB3ITGA2BP2RX3P2RX2
SCHEMBL4815154 0.78 RAB9A (0.42) ROCK2ROCK1
SCHEMBL4811025 0.77 F2 (0.45) MAPTROCK2ROCK1
SCHEMBL4812155 0.77 F2 (0.37) ITGB3ITGA2B

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 MAPK8 567/4885NR4A2 3260/4885WDR5 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.