SCHEMBL4072695

SCHEMBL4072695

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 6/20 0.46
AKT1 P31749 5/20 0.46
RPS6KA1 Q15418 2/20 0.46
ROCK1 Q13464 4/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
RPS6KB1 P23443 2/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.38
PRKACA P17612 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4236722 0.87 AKT1 (0.54) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4062274 0.85 RPS6KA5 (0.52) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4062863 0.83 AKT1 (0.54) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4240010 0.79 RPS6KA5 (0.53) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4063351 0.77 RPS6KA5 (0.52) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4063210 0.76 AKT1 (0.57) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4060743 0.76 AKT1 (0.55) RPS6KA5AKT1RPS6KA1ROCK1AKT2
Hydrochloric Acid SCHEMBL5066138 0.76 AKT1 (0.55) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4066084 0.76 RPS6KA5 (0.57) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4064735 0.76 SLC2A1 (0.58) RPS6KA5AKT1RPS6KA1ROCK1AKT2

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 7 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
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.