SCHEMBL4659675

SCHEMBL4659675

N[C@H](COc1cnc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)c1)Cn1cccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.46
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
GSK3B P49841 3/20 0.43
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
ROCK1 Q13464 5/20 0.42
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK14 Q16539 1/20 0.41
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40

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
SCHEMBL4658441 0.83 AKT1 (0.65) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4660017 0.76 AKT1 (0.69) AKT1GSK3BROCK1CSNK1A1CSNK1D
SCHEMBL4659449 0.76 AKT1 (0.53) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4658519 0.73 GSK3B (0.44) AKT1PRKACAGSK3BROCK2PIM1
SCHEMBL4658446 0.71 AKT1 (0.75) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL15639831 0.69 FGFR1 (0.52) GSK3BROCK2CSNK1DCSNK1ETRPA1
SCHEMBL4659472 0.69 AKT1 (0.56) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL30117579 0.69 FGFR1 (0.51) GSK3BROCK2MAPK14DYRK3CLK1
SCHEMBL15639986 0.69 FGFR1 (0.51) GSK3BROCK2MAPK14DYRK3CLK1
SCHEMBL4659690 0.69 AKT1 (0.54) AKT1PRKACAPRKACGPRKACBGSK3B

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 5 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
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US 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 1/4885PRKACA 134/4885PRKACG 161/4885

“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.