SCHEMBL4060743

SCHEMBL4060743

CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NCC(N)CO)c21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.55
RPS6KA5 O75582 9/20 0.55
RPS6KA1 Q15418 5/20 0.55
ROCK1 Q13464 10/20 0.48
AKT2 P31751 7/20 0.48
AKT3 Q9Y243 4/20 0.48
SLC2A1 P11166 2/20 0.44
GSK3B P49841 3/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
Hydrochloric Acid SCHEMBL5066138 0.99 AKT1 (0.55) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4063210 0.89 AKT1 (0.57) AKT1RPS6KA5RPS6KA1ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5066182 0.85 AKT1 (0.53) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4064408 0.84 RPS6KA5 (0.66) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4066084 0.83 RPS6KA5 (0.57) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL5066185 0.83 AKT1 (0.53) AKT1RPS6KA5RPS6KA1ROCK1AKT2
Hydrochloric Acid SCHEMBL5066396 0.83 RPS6KA5 (0.56) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4061014 0.83 AKT1 (0.56) AKT1RPS6KA5RPS6KA1ROCK1AKT2
SCHEMBL4073188 0.82 RPS6KA5 (0.66) AKT1RPS6KA5RPS6KA1ROCK1SLC2A1
SCHEMBL4061112 0.82 RPS6KA5 (0.57) AKT1RPS6KA5RPS6KA1ROCK1AKT2

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 8 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 claimed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US claimed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
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 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.