Sugi Predict

Sugi Predict / Compounds / SCHEMBL3487689

SCHEMBL3487689

SCHEMBL3487689

CCn1c(-c2nonc2N)nc2c(Cl)ncc(OC[C@@H]3CN(C(=O)O)CCO3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.49
▸ AKT1 P31749 16/20 0.47
▸ ROCK1 Q13464 16/20 0.47
▸ RPS6KA1 Q15418 14/20 0.47
▸ AKT2 P31751 8/20 0.47
▸ AKT3 Q9Y243 5/20 0.47
▸ RPS6KA5 O75582 9/20 0.46
▸ DAPK3 O43293 2/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ MARK3 P27448 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ PRKX P51817 2/20 0.45
▸ PRKCQ Q04759 2/20 0.45
▸ CIT O14578 1/20 0.45
▸ DCLK1 O15075 1/20 0.45

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
SCHEMBL3488105 0.90 SLC2A1 (0.47) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL3488394 0.88 SLC2A1 (0.49) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4685637 0.88 ROCK1 (0.53) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4687918 0.87 AKT1 (0.52) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4066386 0.86 AKT1 (0.56) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL5088703 0.86 SLC2A1 (0.50) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL4687940 0.86 SLC2A1 (0.50) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL3489127 0.85 AKT1 (0.67) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL3488109 0.80 SLC2A1 (0.45) SLC2A1AKT1ROCK1RPS6KA1AKT2
SCHEMBL3487842 0.79 ROCK1 (0.52) SLC2A1AKT1ROCK1RPS6KA1AKT2

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 6 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-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 — — US disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 — — WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 — — EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 — — US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 — — WO 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 SLC2A1 3039/4885AKT1 5/4885ROCK1 478/4885
US-20100056523-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.