SCHEMBL4247863

SCHEMBL4247863

CCn1c(-c2nonc2N)nc2c(-c3ccc[nH]3)ncc(O)c21

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.71
AKT1 P31749 6/20 0.71
RPS6KA1 Q15418 5/20 0.71
RPS6KA5 O75582 16/20 0.51
RPS6KB1 P23443 2/20 0.45
PRKACA P17612 1/20 0.45
GSK3B P49841 1/20 0.45
CDK2 P24941 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL5063633 0.84 AKT1 (0.53) ROCK1AKT1RPS6KA1RPS6KA5
SCHEMBL4062121 0.84 RPS6KA5 (0.69) ROCK1AKT1RPS6KA1RPS6KA5RPS6KB1
SCHEMBL5062933 0.83 AKT1 (0.85) ROCK1AKT1RPS6KA1RPS6KA5
SCHEMBL690780 0.79 RPS6KA5 (0.61) ROCK1AKT1RPS6KA1RPS6KA5RPS6KB1
SCHEMBL5067604 0.79 RPS6KA5 (0.56) ROCK1AKT1RPS6KA1RPS6KA5RPS6KB1
SCHEMBL4065315 0.79 SLC2A1 (0.67) ROCK1AKT1RPS6KA1RPS6KA5PRKACA
SCHEMBL5062534 0.76 AKT1 (0.75) ROCK1AKT1RPS6KA1RPS6KA5
SCHEMBL5062751 0.76 AKT1 (0.54) ROCK1AKT1RPS6KA1RPS6KA5RPS6KB1
Trifluoroacetic Acid SCHEMBL5067580 0.75 SLC2A1 (0.75) ROCK1AKT1RPS6KA1RPS6KA5PRKACA
Trifluoroacetic Acid SCHEMBL5063610 0.74 AKT1 (0.65) ROCK1AKT1RPS6KA1RPS6KA5

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 4 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
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 ROCK1 478/4885AKT1 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.