SCHEMBL4069036

SCHEMBL4069036

CCn1c(-c2nonc2NC(=O)OC(C)(C)C)nc2c(Cl)ncc(OCCCN(C(=O)O)C(C)(C)C)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.40
ROCK1 Q13464 15/20 0.40
RPS6KA1 Q15418 14/20 0.40
RPS6KA5 O75582 6/20 0.40
AKT2 P31751 6/20 0.40
AKT3 Q9Y243 3/20 0.40
SLC2A1 P11166 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4070921 0.82 SMN1; SMN2 (0.39) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL14031396 0.82 RPS6KA5 (0.40) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL5062965 0.81 RPS6KA5 (0.40) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL14031476 0.77 AKT1 (0.42) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL13702485 0.77 AKT1 (0.54) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL14031596 0.72 MERTK (0.41) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4303916 0.72 AKT1 (0.52) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL14031568 0.71 RPS6KA5 (0.47) AKT1ROCK1RPS6KA1RPS6KA5CYP1A2
SCHEMBL4290499 0.71 AKT1 (0.53) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL5067678 0.70 RPS6KA5 (0.47) AKT1RPS6KA1RPS6KA5SLC2A1CYP1A2

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 4 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
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 5/4885ROCK1 478/4885RPS6KA1 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.