Sugi Predict

Sugi Predict / Compounds / SCHEMBL4658737

SCHEMBL4658737

SCHEMBL4658737

Cc1n[nH]c2ccc(-c3cc(OC[C@H](N)Cc4csc5ccccc45)ccc3-c3cc(F)cc(F)c3O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 0.52
▸ ROCK1 Q13464 3/20 0.40
▸ PRKACA P17612 2/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ PRKACB P22694 1/20 0.39
▸ AKT3 Q9Y243 3/20 0.38
▸ AKT2 P31751 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ LIMK1 P53667 2/20 0.38
▸ PRKD2 Q9BZL6 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DCLK1 O15075 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ PDPK1 O15530 1/20 0.38

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
SCHEMBL4658741 1.00 AKT1 (0.52) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659490 0.91 AKT1 (0.53) AKT1ROCK1PRKACAAKT3AKT2
SCHEMBL4659492 0.91 AKT1 (0.53) AKT1ROCK1PRKACAAKT3AKT2
SCHEMBL4659494 0.82 AKT1 (0.55) AKT1ROCK1AKT3AKT2GSK3B
SCHEMBL4660690 0.80 AKT1 (0.62) AKT1ROCK1AKT3AKT2GSK3B
SCHEMBL6854709 0.79 AKT1 (0.80) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4658610 0.78 AKT1 (0.63) AKT1ROCK1PRKACAAKT3AKT2
SCHEMBL4658605 0.78 AKT1 (0.63) AKT1ROCK1PRKACAAKT3AKT2
SCHEMBL4659567 0.77 AKT1 (0.79) AKT1ROCK1PRKACAPRKACGPRKACB
SCHEMBL4659564 0.77 AKT1 (0.79) AKT1ROCK1PRKACAPRKACGPRKACB

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 589/4885PRKACA 134/4885

“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.