SCHEMBL4659630

SCHEMBL4659630

N[C@@H](CNc1cnc(-c2ccsc2)c(-c2ccc3[nH]ncc3c2)c1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.49
CDK2 P24941 8/20 0.49
ROCK1 Q13464 4/20 0.48
FGFR1 P11362 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
ROCK2 O75116 5/20 0.42
GSK3B P49841 4/20 0.42
AURKB Q96GD4 4/20 0.42
RPS6KB1 P23443 3/20 0.42
GSK3A P49840 3/20 0.42
DYRK1A Q13627 3/20 0.42
PRKACA P17612 2/20 0.42
MAPK1 P28482 2/20 0.42
CLK2 P49760 2/20 0.42
PKN2 Q16513 2/20 0.42
BRSK1 Q8TDC3 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
STK17A Q9UEE5 2/20 0.42

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
SCHEMBL4659633 1.00 AKT1 (0.49) AKT1CDK2ROCK1FGFR1FGFR2
SCHEMBL4659709 0.91 AKT1 (0.52) AKT1CDK2ROCK1FGFR1ROCK2
SCHEMBL4659712 0.91 AKT1 (0.52) AKT1CDK2ROCK1FGFR1ROCK2
SCHEMBL4659725 0.85 AKT1 (0.49) AKT1CDK2ROCK1FGFR1ROCK2
SCHEMBL4659724 0.85 AKT1 (0.49) AKT1CDK2ROCK1FGFR1ROCK2
SCHEMBL4658575 0.85 AKT1 (0.48) AKT1CDK2ROCK1FGFR1FGFR2
SCHEMBL4658568 0.85 AKT1 (0.48) AKT1CDK2ROCK1FGFR1FGFR2
SCHEMBL4722252 0.76 AKT1 (0.54) AKT1CDK2ROCK1FGFR1FGFR2
SCHEMBL4722256 0.76 AKT1 (0.54) AKT1CDK2ROCK1FGFR1FGFR2
SCHEMBL4658441 0.73 AKT1 (0.65) AKT1ROCK1GSK3BDYRK1APRKACA

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-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP claimed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US claimed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP claimed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 AKT1 1/4885CDK2 44/4885ROCK1 589/4885

“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.