SCHEMBL4594221

SCHEMBL4594221

CCn1c(-c2nonc2N)nc2c(Cl)nc(OCc3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 10/20 0.60
ROCK1 Q13464 4/20 0.55
GSK3B P49841 8/20 0.55
AKT1 P31749 7/20 0.55
AKT2 P31751 7/20 0.55
AKT3 Q9Y243 5/20 0.55
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52

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
SCHEMBL14008040 0.85 AKT1 (0.62) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL3997256 0.82 ROCK1 (0.77) RPS6KA5ROCK1GSK3BPRKACARPS6KB1
SCHEMBL5069106 0.82 AKT1 (0.80) GSK3BAKT1AKT2AKT3
SCHEMBL4594546 0.80 AKT1 (0.57) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL4596295 0.79 AKT1 (0.55) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL4595536 0.79 RPS6KA5 (0.69) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL13997822 0.78 AKT1 (0.52) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL4606693 0.78 RPS6KA5 (0.52) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL4595603 0.77 RPS6KA5 (0.66) RPS6KA5ROCK1GSK3BAKT1AKT2
SCHEMBL13997805 0.77 RPS6KA5 (0.66) RPS6KA5ROCK1GSK3BAKT1AKT2

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885ROCK1 478/4885GSK3B 139/4885

“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.