SCHEMBL5063563

SCHEMBL5063563

CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(NCCCNCC(O)CO)c21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.51
ROCK1 Q13464 9/20 0.51
RPS6KA1 Q15418 8/20 0.51
AKT2 P31751 2/20 0.51
RPS6KA5 O75582 10/20 0.46
SLC2A1 P11166 1/20 0.37
AKT3 Q9Y243 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL4064623 1.00 AKT1 (0.51) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5058479 0.95 AKT1 (0.49) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL5058480 0.88 AKT1 (0.45) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL5058482 0.87 AKT1 (0.43) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5066060 0.85 AKT1 (0.61) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5062873 0.83 AKT1 (0.53) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5062992 0.82 AKT1 (0.43) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL4239053 0.80 RPS6KA5 (0.53) AKT1ROCK1RPS6KA1RPS6KA5SLC2A1
SCHEMBL4070059 0.80 AKT1 (0.71) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5058418 0.79 AKT1 (0.47) AKT1ROCK1RPS6KA1AKT2RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 AKT1 5/4885ROCK1 478/4885RPS6KA1 127/4885

“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.