SCHEMBL4062274

SCHEMBL4062274

CC(C)n1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)O)c21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 6/20 0.52
AKT1 P31749 5/20 0.52
RPS6KA1 Q15418 3/20 0.52
ROCK1 Q13464 6/20 0.48
RPS6KB1 P23443 3/20 0.48
GSK3B P49841 2/20 0.48
PRKACA P17612 2/20 0.42
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4062863 0.90 AKT1 (0.54) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4063351 0.89 RPS6KA5 (0.52) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4064408 0.86 RPS6KA5 (0.66) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4236722 0.85 AKT1 (0.54) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4072695 0.85 RPS6KA5 (0.46) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4064735 0.84 SLC2A1 (0.58) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4240010 0.82 RPS6KA5 (0.53) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4073373 0.82 SLC2A1 (0.48) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4070851 0.82 SLC2A1 (0.48) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL14031492 0.80 AKT1 (0.47) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1

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
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
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.