SCHEMBL676006

SCHEMBL676006

Cn1nccc1-c1nc(C(=O)N[C@H](CN)Cc2cccc(F)c2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.51
AKT2 P31751 4/20 0.51
AKT3 Q9Y243 4/20 0.51
ROCK1 Q13464 4/20 0.51
PRKCA P17252 3/20 0.51
ROCK2 O75116 2/20 0.51
PRKCB P05771 2/20 0.51
PRKACA P17612 2/20 0.51
PRKACB P22694 2/20 0.51
PKN1 Q16512 2/20 0.51
PRKD2 Q9BZL6 2/20 0.51
CIT O14578 1/20 0.51
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
SYK P43405 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK14 Q16539 1/20 0.42
PIN1 Q13526 5/20 0.42
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL675937 0.86 AKT1 (0.40) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL679004 0.86 AKT1 (0.40) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL2057742 0.84 ROCK1 (0.51) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL1529394 0.84 AKT1 (0.55) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL675162 0.84 AKT1 (0.53) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL675147 0.84 AKT1 (0.69) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL1591842 0.83 AKT1 (0.58) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL28537816 0.83 AKT1 (0.58) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL28534564 0.80 AKT1 (0.57) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL1641583 0.80 AKT1 (0.57) AKT1AKT2AKT3ROCK1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US claimed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA AKT1 2/4885AKT2 1/4885AKT3 7/4885

“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.