Sugi Predict

Sugi Predict / Compounds / SCHEMBL4659529

SCHEMBL4659529

SCHEMBL4659529

Cc1n[nH]c2ccc(-c3cc(OC[C@@H](N)COCc4ccccc4)cnc3-c3ccccc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 20/20 0.62
▸ ROCK1 Q13464 11/20 0.58
▸ CSNK1A1 P48729 3/20 0.52
▸ CSNK1D P48730 3/20 0.52
▸ CSNK1E P49674 2/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ PRKACA P17612 3/20 0.46
▸ PRKACG P22612 2/20 0.46
▸ PRKACB P22694 2/20 0.46
▸ RPS6KB1 P23443 3/20 0.45
▸ AKT2 P31751 3/20 0.45
▸ GSK3B P49841 3/20 0.45
▸ PAK1 Q13153 3/20 0.45
▸ AKT3 Q9Y243 3/20 0.45
▸ DAPK3 O43293 2/20 0.45
▸ RPS6KA5 O75582 2/20 0.45
▸ RPS6KA4 O75676 2/20 0.45
▸ PRKD3 O94806 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ PAK4 O96013 2/20 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
SCHEMBL4658428 0.91 AKT1 (0.65) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4658643 0.90 AKT1 (0.75) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4659648 0.87 AKT1 (0.61) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4660669 0.87 AKT1 (0.71) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4722826 0.87 AKT1 (0.77) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4722830 0.87 AKT1 (0.77) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4660636 0.87 AKT1 (0.70) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL6858000 0.85 AKT1 (0.61) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4659423 0.85 AKT1 (0.68) AKT1ROCK1CSNK1A1CSNK1DCSNK1E
SCHEMBL4764848 0.85 AKT1 (0.78) 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.