SCHEMBL4065691

SCHEMBL4065691

CCn1c(-c2nonc2N)nc2c(-c3cc(Cl)cc(Cl)c3)ncc(C(=O)NC3CCNC3)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.61
ROCK1 Q13464 17/20 0.61
AKT2 P31751 14/20 0.61
RPS6KA5 O75582 14/20 0.61
AKT3 Q9Y243 12/20 0.61
RPS6KA1 Q15418 9/20 0.45
DYRK1A Q13627 2/20 0.45
RPS6KB1 P23443 1/20 0.45
SLC2A1 P11166 1/20 0.42
ROCK2 O75116 3/20 0.41
GSK3A P49840 3/20 0.41
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 2/20 0.41
MARK3 P27448 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3B P49841 2/20 0.41
PRKX P51817 2/20 0.41
PRKCQ Q04759 2/20 0.41

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
Trifluoroacetic Acid SCHEMBL5063621 0.95 AKT1 (0.56) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4065044 0.93 AKT1 (0.58) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4061120 0.90 AKT1 (0.63) AKT1ROCK1AKT2RPS6KA5AKT3
Trifluoroacetic Acid SCHEMBL5063614 0.89 AKT1 (0.54) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4065038 0.88 AKT1 (0.60) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4062321 0.87 AKT1 (0.58) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4070051 0.87 AKT1 (0.58) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4073426 0.86 AKT1 (0.59) AKT1ROCK1AKT2RPS6KA5AKT3
Trifluoroacetic Acid SCHEMBL5058483 0.86 AKT1 (0.58) AKT1ROCK1AKT2RPS6KA5AKT3
SCHEMBL4064891 0.85 AKT1 (0.61) AKT1ROCK1AKT2RPS6KA5AKT3

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 AKT1 5/4885ROCK1 478/4885AKT2 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.