SCHEMBL4062863

SCHEMBL4062863

CCOC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(C(C)C)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.54
RPS6KA5 O75582 3/20 0.54
RPS6KA1 Q15418 2/20 0.54
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
ROCK1 Q13464 4/20 0.44
RPS6KB1 P23443 2/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CSNK1D P48730 1/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 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
SCHEMBL4062274 0.90 RPS6KA5 (0.52) AKT1RPS6KA5RPS6KA1ROCK1RPS6KB1
SCHEMBL4073188 0.89 RPS6KA5 (0.66) AKT1RPS6KA5RPS6KA1ALDH1A1MAPT
SCHEMBL4236722 0.83 AKT1 (0.54) AKT1RPS6KA5RPS6KA1ROCK1RPS6KB1
SCHEMBL4072695 0.83 RPS6KA5 (0.46) AKT1RPS6KA5RPS6KA1ALDH1A1SMN1; SMN2
SCHEMBL5066065 0.82 AKT1 (0.53) AKT1RPS6KA5RPS6KA1ALDH1A1MAPT
SCHEMBL14031585 0.82 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4064408 0.80 RPS6KA5 (0.66) AKT1RPS6KA5RPS6KA1ROCK1RPS6KB1
SCHEMBL4064735 0.80 SLC2A1 (0.58) AKT1RPS6KA5RPS6KA1ALDH1A1ROCK1
SCHEMBL4243398 0.79 RPS6KA5 (0.53) AKT1RPS6KA5RPS6KA1MAPTLMNA
SCHEMBL4063351 0.79 RPS6KA5 (0.52) AKT1RPS6KA5RPS6KA1ALDH1A1MAPT

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 AKT1 5/4885RPS6KA5 156/4885RPS6KA1 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.