SCHEMBL4249002

SCHEMBL4249002

Nc1nonc1-c1nc2c(Cl)nccc2n1CC1CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 12/20 0.72
RPS6KB1 P23443 3/20 0.60
ROCK1 Q13464 3/20 0.60
PRKACA P17612 2/20 0.60
GSK3B P49841 2/20 0.60
KCNK13 Q9HB14 2/20 0.45
DYRK1A Q13627 2/20 0.43
CDK2 P24941 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 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
SCHEMBL4247989 0.85 RPS6KB1 (0.59) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL4718900 0.84 RPS6KA5 (1.00) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL4063806 0.82 RPS6KA5 (0.57) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL5063583 0.81 RPS6KB1 (0.60) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL5597164 0.78 ROCK1 (0.50) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL4718787 0.77 RPS6KB1 (0.73) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL5066117 0.76 RPS6KA5 (0.52) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL1901437 0.75 RPS6KB1 (1.00) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL6402982 0.74 RPS6KB1 (1.00) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL4071295 0.73 RPS6KA5 (0.51) RPS6KA5RPS6KB1ROCK1PRKACAGSK3B

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 5 patents. 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 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 156/4885RPS6KB1 99/4885ROCK1 478/4885

“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.