SCHEMBL3330574

SCHEMBL3330574

Cn1nccc1-c1ccc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
GRM5 P41594 1/20 0.35
HTR2A P28223 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ROCK2 O75116 2/20 0.34
P2RX7 Q99572 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL3338310 0.91 AKT1 (0.38) AKT1AKT2AKT3ALDH1A1NPC1
SCHEMBL3331359 0.88 AKT1 (0.49) AKT1AKT2AKT3HTR2AROCK2
SCHEMBL1527218 0.86 MEN1 (0.36) AKT1AKT2AKT3ALDH1A1NPC1
SCHEMBL1527174 0.86 KMT2A (0.36) AKT1AKT2AKT3ALDH1A1NPC1
SCHEMBL1527250 0.84 GRM5 (0.37) AKT1AKT2AKT3ALDH1A1NPC1
SCHEMBL1529550 0.83 AKT1 (0.40) AKT1AKT2AKT3NPC1RAB9A
SCHEMBL1530017 0.83 AKT1 (0.36) AKT1AKT2AKT3MEN1KMT2A
SCHEMBL1530002 0.83 AKT1 (0.40) AKT1AKT2AKT3ALDH1A1RAB9A
SCHEMBL13113887 0.83 AKT1 (0.42) AKT1AKT2AKT3ALDH1A1NPC1
SCHEMBL1529703 0.83 AKT1 (0.42) AKT1AKT2AKT3MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 AKT1 4/4885AKT2 3/4885AKT3 2/4885

“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.