SCHEMBL675076

SCHEMBL675076

Cn1nccc1-c1nc(C(=O)N[C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
CIT O14578 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACB P22694 1/20 0.40
ROCK1 Q13464 1/20 0.40
PKN1 Q16512 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
PIN1 Q13526 4/20 0.38
MAPK1 P28482 2/20 0.37
HDAC8 Q9BY41 4/20 0.36
CTSA P10619 1/20 0.36

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
SCHEMBL678161 1.00 AKT1 (0.42) AKT1AKT2AKT3CITROCK2
SCHEMBL675937 0.86 AKT1 (0.40) AKT1AKT2AKT3CITROCK2
SCHEMBL679004 0.86 AKT1 (0.40) AKT1AKT2AKT3CITROCK2
SCHEMBL675162 0.86 AKT1 (0.53) AKT1AKT2AKT3CITROCK2
SCHEMBL1539555 0.86 AKT1 (0.46) AKT1AKT2AKT3CITROCK2
SCHEMBL12646871 0.83 ROCK1 (0.40) AKT1AKT2AKT3CITROCK2
SCHEMBL1682695 0.83 ROCK1 (0.40) AKT1AKT2AKT3CITROCK2
SCHEMBL1641424 0.83 AKT1 (0.45) AKT1AKT2AKT3CITROCK2
SCHEMBL1530055 0.82 AKT1 (0.49) AKT1AKT2AKT3CITROCK2
SCHEMBL1539458 0.82 AKT1 (0.47) AKT1AKT2AKT3CITROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
EP-2303852-A2 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP 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.