SCHEMBL4240010

SCHEMBL4240010

CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NC3CCNC3)c21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 10/20 0.53
AKT1 P31749 8/20 0.53
AKT2 P31751 7/20 0.53
ROCK1 Q13464 7/20 0.53
AKT3 Q9Y243 5/20 0.53
RPS6KA1 Q15418 4/20 0.42
HTR4 Q13639 1/20 0.39
ATR Q13535 1/20 0.38
RPS6KB1 P23443 2/20 0.38
DYRK1A Q13627 1/20 0.38
GSK3B P49841 1/20 0.38
SLC2A1 P11166 1/20 0.37
PBK Q96KB5 1/20 0.36
SRC P12931 1/20 0.35
PARP1 P09874 1/20 0.35
MAP4K4 O95819 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
SCHEMBL4061120 0.89 AKT1 (0.63) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL5058413 0.87 ROCK1 (0.50) RPS6KA5AKT1AKT2ROCK1AKT3
Trifluoroacetic Acid SCHEMBL5058483 0.86 AKT1 (0.58) RPS6KA5AKT1AKT2ROCK1AKT3
Trifluoroacetic Acid SCHEMBL5067623 0.83 ROCK1 (0.47) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL4065038 0.82 AKT1 (0.60) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL4062274 0.82 RPS6KA5 (0.52) RPS6KA5AKT1ROCK1RPS6KA1RPS6KB1
SCHEMBL4065044 0.81 AKT1 (0.58) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL4070051 0.81 AKT1 (0.58) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL4064891 0.81 AKT1 (0.61) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL4236722 0.80 AKT1 (0.54) RPS6KA5AKT1AKT2ROCK1AKT3

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-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP claimed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US claimed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885AKT1 5/4885AKT2 3/4885

“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.