SCHEMBL4658783

SCHEMBL4658783

N[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3[nH]nc(-c4ccsc4)c3c2)c1)Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.75
ROCK1 Q13464 8/20 0.75
PRKACA P17612 2/20 0.56
PRKACG P22612 2/20 0.56
PRKACB P22694 2/20 0.56
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
CSNK1E P49674 1/20 0.55
MAPK14 Q16539 1/20 0.55
CDK2 P24941 2/20 0.47
CDK7 P50613 2/20 0.47

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
SCHEMBL4658446 0.93 AKT1 (0.75) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659585 0.88 AKT1 (0.71) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4658643 0.88 AKT1 (0.75) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4660851 0.87 AKT1 (0.72) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4660843 0.87 AKT1 (0.72) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4660726 0.87 AKT1 (0.67) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659782 0.86 AKT1 (0.68) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4660636 0.86 AKT1 (0.70) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4660852 0.86 AKT1 (0.70) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659525 0.86 AKT1 (0.68) 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 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 589/4885PRKACA 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.