SCHEMBL4062121

SCHEMBL4062121

CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(O)c21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 14/20 0.69
AKT1 P31749 5/20 0.69
RPS6KA1 Q15418 3/20 0.69
ROCK1 Q13464 6/20 0.54
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
GSK3B P49841 1/20 0.51
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL5067604 0.88 RPS6KA5 (0.56) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL4566808 0.88 RPS6KA5 (0.67) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL4064408 0.87 RPS6KA5 (0.66) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL5062967 0.85 RPS6KA5 (0.67) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL4073188 0.84 RPS6KA5 (0.66) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL4247863 0.84 ROCK1 (0.71) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL4066879 0.83 AKT1 (0.84) RPS6KA5AKT1RPS6KA1ROCK1
SCHEMBL5063634 0.83 AKT1 (0.91) RPS6KA5AKT1RPS6KA1ROCK1GSK3B
SCHEMBL5062751 0.83 AKT1 (0.54) RPS6KA5AKT1RPS6KA1ROCK1PRKACA
SCHEMBL690780 0.82 RPS6KA5 (0.61) RPS6KA5AKT1RPS6KA1ROCK1PRKACA

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 6 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 disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US 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 RPS6KA5 156/4885AKT1 5/4885RPS6KA1 127/4885

“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.