SCHEMBL4660652

SCHEMBL4660652

CCc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccco3)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.70
GSK3B P49841 6/20 0.60
CYP3A4 P08684 5/20 0.60
AKT3 Q9Y243 5/20 0.60
AKT2 P31751 4/20 0.60
ROCK1 Q13464 3/20 0.60
PAK1 Q13153 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CYP2C19 P33261 1/20 0.60
PDK1 Q15118 1/20 0.60
CDC7 O00311 1/20 0.52
DCLK1 O15075 1/20 0.52
CHUK O15111 1/20 0.52
MAPK13 O15264 1/20 0.52
PDPK1 O15530 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52

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
SCHEMBL4659627 0.91 AKT1 (0.74) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL4824211 0.91 AKT1 (0.74) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL4659552 0.88 AKT1 (0.77) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL4658576 0.87 AKT1 (0.60) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL4658582 0.87 AKT1 (0.60) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL4659744 0.87 AKT1 (0.68) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL6854290 0.83 AKT1 (0.81) AKT1GSK3BAKT3AKT2ROCK1
SCHEMBL6855665 0.82 AKT1 (1.00) AKT1GSK3BAKT3AKT2DAPK3
SCHEMBL4792098 0.81 AKT1 (0.81) AKT1GSK3BCYP3A4AKT3AKT2
SCHEMBL5467930 0.80 AKT1 (0.71) AKT1GSK3BCYP3A4AKT3AKT2

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 1/4885GSK3B 106/4885CYP3A4 3987/4885

“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.