SCHEMBL4659552

SCHEMBL4659552

CCc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.77
CYP3A4 P08684 6/20 0.77
GSK3B P49841 6/20 0.77
AKT2 P31751 4/20 0.77
AKT3 Q9Y243 4/20 0.77
ROCK1 Q13464 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
RPS6KB1 P23443 1/20 0.77
CYP2C19 P33261 1/20 0.77
PAK1 Q13153 1/20 0.77
PDK1 Q15118 1/20 0.77
CSNK1A1 P48729 1/20 0.57
CSNK1D P48730 1/20 0.57
CSNK1E P49674 1/20 0.57
MAPK14 Q16539 1/20 0.57

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
SCHEMBL4658507 0.91 AKT1 (0.81) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4658510 0.89 AKT1 (0.75) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4660652 0.88 AKT1 (0.70) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4658460 0.88 AKT1 (0.73) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4658576 0.87 AKT1 (0.60) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4658582 0.87 AKT1 (0.60) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4659744 0.87 AKT1 (0.68) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL31060805 0.87 AKT1 (1.00) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4659626 0.84 AKT1 (0.70) AKT1CYP3A4GSK3BAKT2AKT3
SCHEMBL4791313 0.84 AKT1 (0.71) AKT1CYP3A4GSK3BAKT2AKT3

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 1/4885CYP3A4 3987/4885GSK3B 106/4885

“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.