SCHEMBL4303867

SCHEMBL4303867

CCn1c(-c2nonc2N)nc2c(Cl)ncc(OC[C@@H](C)CNC3CC3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
AKT1 P31749 18/20 0.50
ROCK1 Q13464 17/20 0.50
RPS6KA1 Q15418 14/20 0.50
RPS6KA5 O75582 11/20 0.47
AKT2 P31751 9/20 0.47
AKT3 Q9Y243 6/20 0.47
RPS6KB1 P23443 1/20 0.47
DYRK1A Q13627 1/20 0.47
CIT O14578 1/20 0.44
DCLK1 O15075 1/20 0.44
DAPK3 O43293 1/20 0.44
NUAK1 O60285 1/20 0.44
PIP5K1C O60331 1/20 0.44
ROCK2 O75116 1/20 0.44
ULK1 O75385 1/20 0.44
RPS6KA4 O75676 1/20 0.44
PRKD3 O94806 1/20 0.44
SMC2 O95347 1/20 0.44
LATS1 O95835 1/20 0.44

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
SCHEMBL13702621 0.87 AKT1 (0.52) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4288171 0.85 SLC2A1 (0.57) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5
SCHEMBL4299426 0.84 AKT1 (0.69) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4299419 0.83 AKT1 (0.56) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5
Trifluoroacetic Acid SCHEMBL4301625 0.79 AKT1 (0.71) AKT1ROCK1RPS6KA1RPS6KA5AKT2
SCHEMBL4301683 0.79 SLC2A1 (0.57) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5
SCHEMBL4292488 0.79 SLC2A1 (0.59) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5
SCHEMBL10053689 0.78 AKT1 (0.72) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5
SCHEMBL21350454 0.78 AKT1 (0.73) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5
SCHEMBL4302078 0.78 AKT1 (0.56) SLC2A1AKT1ROCK1RPS6KA1RPS6KA5

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-20090227616-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION, A CORPORATION 2009-09-10 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-20090227616-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 SLC2A1 3039/4885AKT1 5/4885ROCK1 478/4885

“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.