SCHEMBL5066065

SCHEMBL5066065

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.53
RPS6KA5 O75582 4/20 0.53
RPS6KA1 Q15418 3/20 0.53
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
ROCK1 Q13464 4/20 0.43
SLC2A1 P11166 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CSNK1D P48730 1/20 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
SCHEMBL4070639 0.91 RPS6KA5 (0.52) AKT1RPS6KA5RPS6KA1TP53ATM
SCHEMBL4073188 0.89 RPS6KA5 (0.66) AKT1RPS6KA5RPS6KA1MAPTALDH1A1
SCHEMBL4062863 0.82 AKT1 (0.54) AKT1RPS6KA5RPS6KA1MAPTALDH1A1
SCHEMBL4064408 0.81 RPS6KA5 (0.66) AKT1RPS6KA5RPS6KA1ROCK1SLC2A1
SCHEMBL4243398 0.80 RPS6KA5 (0.53) AKT1RPS6KA5RPS6KA1MAPTLMNA
SCHEMBL5062594 0.79 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL5063618 0.77 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL5062927 0.77 RPS6KA5 (0.50) AKT1RPS6KA5RPS6KA1MAPTALDH1A1
SCHEMBL5063617 0.77 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL4069078 0.76 RPS6KA5 (0.46) AKT1RPS6KA5RPS6KA1MAPTALDH1A1

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 1 patent. 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 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.