SCHEMBL4072805

SCHEMBL4072805

CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3Cl)ncc(C(=O)O)c21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 11/20 0.49
AKT1 P31749 8/20 0.49
RPS6KA1 Q15418 4/20 0.49
SLC2A1 P11166 2/20 0.45
ROCK1 Q13464 8/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 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
SCHEMBL4074227 0.93 RPS6KA5 (0.52) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4073046 0.86 RPS6KA5 (0.53) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4064408 0.84 RPS6KA5 (0.66) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4071929 0.84 RPS6KA5 (0.55) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4071938 0.78 SLC2A1 (0.67) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4073188 0.76 RPS6KA5 (0.66) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4243398 0.76 RPS6KA5 (0.53) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
Trifluoroacetic Acid SCHEMBL5067496 0.75 SLC2A1 (0.75) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
Trifluoroacetic Acid SCHEMBL5067656 0.74 AKT1 (0.69) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1
SCHEMBL4064906 0.74 SLC2A1 (0.46) RPS6KA5AKT1RPS6KA1SLC2A1ROCK1

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 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.