SCHEMBL4659505

SCHEMBL4659505

Cc1n[nH]c2cc(F)c(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccccc3O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.53
PRKACA P17612 2/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
GSK3B P49841 9/20 0.51
AKT2 P31751 7/20 0.51
CYP3A4 P08684 7/20 0.51
AKT3 Q9Y243 7/20 0.51
ROCK1 Q13464 4/20 0.51
RPS6KB1 P23443 2/20 0.51
PAK1 Q13153 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDK1 Q15118 1/20 0.51
ROCK2 O75116 2/20 0.51
PIM1 P11309 2/20 0.51
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51

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
SCHEMBL4659504 1.00 AKT1 (0.53) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4659446 0.89 AKT1 (0.59) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4791400 0.88 AKT1 (0.64) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4791403 0.88 AKT1 (0.64) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL5465188 0.87 AKT1 (0.63) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL5469889 0.87 AKT1 (0.69) AKT1GSK3BAKT2CYP3A4AKT3
SCHEMBL5469896 0.87 AKT1 (0.69) AKT1GSK3BAKT2CYP3A4AKT3
SCHEMBL4660921 0.84 AKT1 (0.60) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4660929 0.84 AKT1 (0.60) AKT1PRKACAPRKACGPRKACBGSK3B
SCHEMBL4659522 0.84 AKT1 (0.59) AKT1PRKACAGSK3BAKT2CYP3A4

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 1/4885PRKACA 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.