SCHEMBL4659724

SCHEMBL4659724

N[C@@H](CNc1cnc(-c2ccoc2)c(-c2ccc3[nH]ncc3c2)c1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.49
ROCK1 Q13464 4/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
MAPK14 Q16539 1/20 0.49
CDK2 P24941 7/20 0.47
FGFR1 P11362 2/20 0.43
CYP3A4 P08684 2/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
GSK3B P49841 4/20 0.39
ROCK2 O75116 3/20 0.39
RPS6KB1 P23443 3/20 0.39
PRKACA P17612 2/20 0.39
MAPK1 P28482 2/20 0.39
GSK3A P49840 2/20 0.39

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
SCHEMBL4659725 1.00 AKT1 (0.49) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4659709 0.90 AKT1 (0.52) AKT1ROCK1CDK2FGFR1CDC7
SCHEMBL4659712 0.90 AKT1 (0.52) AKT1ROCK1CDK2FGFR1CDC7
SCHEMBL4659633 0.85 AKT1 (0.49) AKT1ROCK1CDK2FGFR1CDC7
SCHEMBL4659630 0.85 AKT1 (0.49) AKT1ROCK1CDK2FGFR1CDC7
SCHEMBL4658575 0.84 AKT1 (0.48) AKT1ROCK1CDK2FGFR1GSK3B
SCHEMBL4658568 0.84 AKT1 (0.48) AKT1ROCK1CDK2FGFR1GSK3B
SCHEMBL4791666 0.84 AKT1 (0.56) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL5474545 0.84 AKT1 (0.56) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4660017 0.84 AKT1 (0.69) AKT1ROCK1CSNK1A1CSNK1DCSNK1E

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 1/4885ROCK1 589/4885CSNK1A1 545/4885

“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.