SCHEMBL3488629

SCHEMBL3488629

CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)OC(=O)C(F)(F)F)ncc(OCCCCN)c21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 0.76
▸ RPS6KA1 Q15418 16/20 0.76
▸ ROCK1 Q13464 16/20 0.76
▸ AKT2 P31751 12/20 0.76
▸ RPS6KA5 O75582 7/20 0.76
▸ AKT3 Q9Y243 5/20 0.76
▸ GSK3B P49841 3/20 0.57
▸ CIT O14578 1/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ NUAK1 O60285 1/20 0.52
▸ PIP5K1C O60331 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ ULK1 O75385 1/20 0.52
▸ RPS6KA4 O75676 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ SMC2 O95347 1/20 0.52
▸ LATS1 O95835 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CHEK2 O96017 1/20 0.52

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
SCHEMBL3488234 0.98 AKT1 (0.76) AKT1RPS6KA1ROCK1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL3488625 0.89 AKT1 (0.88) AKT1RPS6KA1ROCK1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL3488230 0.87 AKT1 (0.88) AKT1RPS6KA1ROCK1AKT2RPS6KA5
SCHEMBL5062859 0.85 AKT1 (0.81) AKT1RPS6KA1ROCK1AKT2RPS6KA5
SCHEMBL5067574 0.85 AKT1 (0.76) AKT1RPS6KA1ROCK1AKT2RPS6KA5
SCHEMBL3488233 0.85 AKT1 (0.81) AKT1RPS6KA1ROCK1AKT2RPS6KA5
SCHEMBL5066280 0.84 AKT1 (0.80) AKT1RPS6KA1ROCK1AKT2RPS6KA5
SCHEMBL13702486 0.84 AKT1 (1.00) AKT1RPS6KA1ROCK1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5063644 0.84 AKT1 (0.78) AKT1RPS6KA1ROCK1AKT2RPS6KA5
Trifluoroacetic Acid SCHEMBL5063569 0.83 AKT1 (0.81) AKT1RPS6KA1ROCK1AKT2RPS6KA5

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-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 — — US disclosed
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 (2 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-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 AKT1 5/4885RPS6KA1 127/4885ROCK1 478/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 AKT1 5/4885RPS6KA1 127/4885ROCK1 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.

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