SCHEMBL4659502

SCHEMBL4659502

N[C@@H](COc1cnc(-c2ccccc2O)c(-c2ccc3[nH]ncc3c2)c1)Cc1csc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.52
ROCK1 Q13464 5/20 0.52
PRKACA P17612 4/20 0.52
PRKACG P22612 4/20 0.52
PRKACB P22694 4/20 0.52
AKT2 P31751 3/20 0.43
AKT3 Q9Y243 3/20 0.43
PRKCG P05129 2/20 0.43
CDK1 P06493 2/20 0.43
MAPK1 P28482 2/20 0.43
SRC P12931 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL4659499 1.00 AKT1 (0.52) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659449 0.91 AKT1 (0.53) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659690 0.88 AKT1 (0.54) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659735 0.87 AKT1 (0.52) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659472 0.86 AKT1 (0.56) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4658757 0.86 AKT1 (0.59) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4658748 0.86 AKT1 (0.51) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4660690 0.79 AKT1 (0.62) AKT1ROCK1AKT2AKT3CYP1A2
SCHEMBL4658441 0.75 AKT1 (0.65) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4791403 0.74 AKT1 (0.64) AKT1ROCK1PRKACAPRKACGPRKACB

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 4 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 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 589/4885PRKACA 134/4885

“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.