SCHEMBL4070787

SCHEMBL4070787

CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(CN3CCCNCC3)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 16/20 0.61
AKT1 P31749 12/20 0.56
RPS6KA1 Q15418 6/20 0.56
ROCK1 Q13464 11/20 0.46
AKT2 P31751 7/20 0.44
AKT3 Q9Y243 7/20 0.44
RPS6KB1 P23443 2/20 0.42
DYRK1A Q13627 1/20 0.42
GSK3B P49841 3/20 0.41
PRKACA P17612 2/20 0.41
CIT O14578 1/20 0.40
DCLK1 O15075 1/20 0.40
DAPK3 O43293 1/20 0.40
NUAK1 O60285 1/20 0.40
PIP5K1C O60331 1/20 0.40
ROCK2 O75116 1/20 0.40
ULK1 O75385 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
SMC2 O95347 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
SCHEMBL5058506 0.97 RPS6KA5 (0.65) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4065881 0.87 RPS6KA5 (0.60) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL14031399 0.83 RPS6KA5 (0.61) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4240141 0.83 RPS6KA5 (0.59) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4071038 0.82 AKT1 (0.73) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4246910 0.81 AKT1 (0.74) RPS6KA5AKT1RPS6KA1ROCK1AKT2
Trifluoroacetic Acid SCHEMBL4389888 0.81 AKT1 (0.53) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4066679 0.81 RPS6KA5 (0.55) RPS6KA5AKT1RPS6KA1ROCK1AKT2
SCHEMBL4064963 0.81 RPS6KA5 (0.55) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1
SCHEMBL4566808 0.81 RPS6KA5 (0.67) RPS6KA5AKT1RPS6KA1ROCK1RPS6KB1

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.