SCHEMBL4658726

SCHEMBL4658726

CC(C)(C)OC(=O)N[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)c1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.44
ROCK1 Q13464 8/20 0.43
ROCK2 O75116 5/20 0.43
ATM Q13315 1/20 0.42
PTPN1 P18031 1/20 0.39
F11 P03951 1/20 0.39
APP P05067 1/20 0.38
TRPA1 O75762 2/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK14 Q16539 1/20 0.38
ACE P12821 1/20 0.38
CDC7 O00311 2/20 0.37
PLK4 O00444 2/20 0.37
AURKA O14965 2/20 0.37
PRKCG P05129 2/20 0.37
CDK1 P06493 2/20 0.37
PRKACA P17612 2/20 0.37
RPS6KB1 P23443 2/20 0.37

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
SCHEMBL14441493 0.91 ROCK2 (0.43) AKT1ROCK1ROCK2ATMPTPN1
SCHEMBL5469830 0.86 AKT1 (0.51) AKT1ROCK1ATMCSNK1A1CSNK1D
SCHEMBL14430135 0.85 AKT1 (0.48) AKT1ROCK1ATMAPPCSNK1A1
SCHEMBL5472198 0.81 AKT1 (0.48) AKT1ROCK1ATMCSNK1A1CSNK1D
SCHEMBL14430136 0.79 AKT1 (0.48) AKT1ROCK1ATMAPPCSNK1A1
SCHEMBL4658441 0.79 AKT1 (0.65) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL14430196 0.79 AKT1 (0.52) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL5467193 0.78 AKT1 (0.44) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL14430124 0.78 AKT1 (0.43) AKT1ROCK1ATMAPPCSNK1A1
SCHEMBL14430184 0.78 AKT1 (0.44) AKT1ROCK1CSNK1A1CSNK1DCSNK1E

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
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 AKT1 1/4885ROCK1 589/4885ROCK2 713/4885

“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.