Sugi Predict

Sugi Predict / Compounds / SCHEMBL4660713

SCHEMBL4660713

SCHEMBL4660713

COc1ccc(F)cc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.68
▸ ROCK1 Q13464 10/20 0.64
▸ CSNK1A1 P48729 3/20 0.52
▸ CSNK1D P48730 3/20 0.52
▸ CSNK1E P49674 2/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ DAPK3 O43293 2/20 0.47
▸ RPS6KA5 O75582 2/20 0.47
▸ RPS6KA4 O75676 2/20 0.47
▸ PRKD3 O94806 2/20 0.47
▸ MAP4K4 O95819 2/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ CHEK2 O96017 2/20 0.47
▸ PRKCG P05129 2/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ PHKG2 P15735 2/20 0.47
▸ PRKACA P17612 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL4659693 0.93 AKT1 (0.78) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4658661 0.92 AKT1 (0.62) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL5461583 0.91 AKT1 (0.65) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4658589 0.90 AKT1 (0.79) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4658594 0.90 AKT1 (0.79) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4658437 0.89 AKT1 (0.65) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4659609 0.87 AKT1 (0.61) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4659507 0.87 AKT1 (0.62) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4660669 0.87 AKT1 (0.71) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4659567 0.86 AKT1 (0.79) AKT1ROCK1CSNK1A1CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 — — EP claimed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 — — US claimed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 — — EP claimed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 — — WO claimed
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 — — EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 — — US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 — — EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 — — 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 (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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 AKT1 1/4885ROCK1 589/4885CSNK1A1 545/4885

“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.