SCHEMBL4290499

SCHEMBL4290499

CCn1c(-c2nonc2N)nc2c(Cl)ncc(OCC[C@H](C(C)C)N(C(=O)O)C(C)(C)C)c21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.53
ROCK1 Q13464 15/20 0.53
RPS6KA1 Q15418 14/20 0.53
AKT2 P31751 6/20 0.53
SLC2A1 P11166 1/20 0.52
RPS6KA5 O75582 5/20 0.52
AKT3 Q9Y243 2/20 0.51

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
SCHEMBL4303916 0.92 AKT1 (0.52) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL4301439 0.87 AKT1 (0.73) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL5011017 0.83 SLC2A1 (0.55) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL4298408 0.80 SLC2A1 (0.52) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL21350454 0.80 AKT1 (0.73) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL4293734 0.79 AKT1 (0.73) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL4293083 0.78 AKT1 (0.51) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL13702485 0.77 AKT1 (0.54) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL4295261 0.77 AKT1 (0.61) AKT1ROCK1RPS6KA1AKT2SLC2A1
SCHEMBL4298401 0.77 SLC2A1 (0.50) AKT1ROCK1RPS6KA1AKT2SLC2A1

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 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.