SCHEMBL4070786

SCHEMBL4070786

CN(C)CCCNC(=O)c1cnc(-c2cccc(Cl)c2)c2nc(-c3nonc3N)n(CC3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
FYN P06241 1/20 0.39
RPS6KA5 O75582 5/20 0.39
AKT1 P31749 4/20 0.39
ROCK1 Q13464 4/20 0.39
AKT2 P31751 3/20 0.39
AKT3 Q9Y243 3/20 0.39
RPS6KA1 Q15418 1/20 0.38
PRKACA P17612 2/20 0.37
RPS6KB1 P23443 2/20 0.37
GSK3B P49841 2/20 0.37
GABRA5 P31644 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
BCHE P06276 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MDM2 Q00987 2/20 0.36
DYRK1A Q13627 2/20 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
SCHEMBL4065699 0.86 KDM4E (0.41) SLC2A1RPS6KA5AKT1ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5066248 0.83 SLC2A1 (0.45) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4066084 0.82 RPS6KA5 (0.57) SLC2A1RPS6KA5AKT1ROCK1AKT2
Hydrochloric Acid SCHEMBL5066396 0.81 RPS6KA5 (0.56) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4072215 0.81 SLC2A1 (0.56) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4065044 0.77 AKT1 (0.58) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4065048 0.76 RPS6KA5 (0.47) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4073102 0.76 SLC2A1 (0.65) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4061014 0.76 AKT1 (0.56) SLC2A1RPS6KA5AKT1ROCK1AKT2
SCHEMBL4071929 0.75 RPS6KA5 (0.55) SLC2A1RPS6KA5AKT1ROCK1AKT2

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-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US claimed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 SLC2A1 3039/4885FYN 292/4885RPS6KA5 156/4885

“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.