SCHEMBL4926552

SCHEMBL4926552

Nc1nccc(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)s2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.51
AKT3 Q9Y243 5/20 0.48
HPGDS O60760 3/20 0.45
MAPK1 P28482 5/20 0.45
MAPK13 O15264 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
AKT2 P31751 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
RPS6KA3 P51812 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
SCHEMBL5005761 1.00 AKT1 (0.51) AKT1AKT3HPGDSMAPK1MAPK13
SCHEMBL4927274 1.00 AKT1 (0.51) AKT1AKT3HPGDSMAPK1MAPK13
SCHEMBL5226996 0.93 AKT3 (0.52) AKT1AKT3MAPK1ROCK2RPS6KA5
SCHEMBL4931327 0.90 ROCK1 (0.52) AKT1AKT3HPGDSROCK2ROCK1
SCHEMBL4927755 0.90 ROCK1 (0.52) AKT1AKT3HPGDSROCK2ROCK1
SCHEMBL4917953 0.87 AKT3 (0.56) AKT1AKT3MAPK1ROCK2RPS6KA5
SCHEMBL5000339 0.86 AKT3 (0.62) AKT1AKT3PRKACAAKT2
SCHEMBL27685130 0.86 AKT3 (0.62) AKT1AKT3PRKACAAKT2
SCHEMBL4924499 0.84 HDAC3 (0.57) AKT3HPGDSMAPK1MAP4K4PRKACA
SCHEMBL4929904 0.84 HDAC3 (0.57) AKT3HPGDSMAPK1MAP4K4PRKACA

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-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN AKT1 1954/4885AKT3 1872/4885HPGDS 1200/4885

“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.