SCHEMBL4072293

SCHEMBL4072293

CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(OCC3CCNCC3)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.62
ROCK1 Q13464 15/20 0.62
RPS6KA5 O75582 10/20 0.62
AKT2 P31751 10/20 0.62
AKT3 Q9Y243 7/20 0.62
RPS6KA1 Q15418 12/20 0.57
CIT O14578 1/20 0.52
DCLK1 O15075 1/20 0.52
DAPK3 O43293 1/20 0.52
NUAK1 O60285 1/20 0.52
PIP5K1C O60331 1/20 0.52
ROCK2 O75116 1/20 0.52
ULK1 O75385 1/20 0.52
RPS6KA4 O75676 1/20 0.52
PRKD3 O94806 1/20 0.52
SMC2 O95347 1/20 0.52
LATS1 O95835 1/20 0.52
PAK4 O96013 1/20 0.52
CHEK2 O96017 1/20 0.52
PRKCB P05771 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL5067652 0.93 AKT1 (0.67) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL4066128 0.91 AKT1 (0.69) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL4062531 0.90 AKT1 (0.60) AKT1ROCK1RPS6KA5AKT2AKT3
Trifluoroacetic Acid SCHEMBL5058455 0.87 AKT1 (0.61) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL4062696 0.86 AKT1 (0.68) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL10053689 0.85 AKT1 (0.72) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL5067657 0.85 ROCK1 (0.55) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL5058465 0.83 AKT1 (0.53) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL4068592 0.83 AKT1 (0.81) AKT1ROCK1RPS6KA5AKT2AKT3
SCHEMBL4241089 0.83 AKT1 (0.72) AKT1ROCK1RPS6KA5AKT2AKT3

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 AKT1 5/4885ROCK1 478/4885RPS6KA5 156/4885

“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.