SCHEMBL3329879

SCHEMBL3329879

Cn1nncc1-c1ccc(C(=O)N[C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.43
ROCK1 Q13464 2/20 0.43
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
CIT O14578 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACB P22694 1/20 0.41
PKN1 Q16512 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
PIN1 Q13526 2/20 0.40
CACNA1G O43497 1/20 0.37

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
SCHEMBL3332387 0.90 ROCK2 (0.44) MAPK1ROCK1ROCK2PRKACAPIN1
SCHEMBL3330630 0.85 ROCK1 (0.52) MAPK1ROCK1AKT1AKT2AKT3
SCHEMBL3329927 0.82 MEN1 (0.37) MAPK1
SCHEMBL1529840 0.78 MAPK1 (0.40) MAPK1ROCK1AKT1AKT2AKT3
SCHEMBL1539555 0.77 AKT1 (0.46) MAPK1ROCK1AKT1AKT2AKT3
SCHEMBL28559335 0.77 ROCK1 (0.37) ROCK1AKT1AKT2AKT3CIT
SCHEMBL28559331 0.77 ROCK1 (0.37) ROCK1AKT1AKT2AKT3CIT
SCHEMBL2636369 0.76 PIN1 (0.43) MAPK1PIN1
SCHEMBL10324428 0.76 PIN1 (0.46) ROCK1AKT1AKT2AKT3CIT
SCHEMBL10447826 0.76 PIN1 (0.46) ROCK1AKT1AKT2AKT3CIT

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 2 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US 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 MAPK1 80/4885ROCK1 414/4885AKT1 4/4885

“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.