SCHEMBL4919699

SCHEMBL4919699

COc1ccc(Nc2nccc(-c3ccc(C(=O)NCc4ccccc4Cl)s3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 13/20 0.60
MAPK8 P45983 1/20 0.49
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
BTK Q06187 1/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4928236 0.90 MAPT (0.51) AKT3BTKMAPTHDAC1
SCHEMBL4925044 0.90 AKT3 (0.52) AKT3PIK3CAPIK3CBPIK3CGBTK
SCHEMBL3972858 0.87 AKT3 (0.57) AKT3MAPTHDAC1HDAC6
SCHEMBL4925751 0.86 AKT3 (0.63) AKT3PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL4926173 0.86 AKT3 (0.58) AKT3PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL4927821 0.84 AKT3 (0.61) AKT3PIK3CAPIK3CBPIK3CG
SCHEMBL5003666 0.84 AKT3 (0.81) AKT3
SCHEMBL4919836 0.83 AKT3 (0.52) AKT3PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL3980987 0.82 AKT3 (0.71) AKT3HDAC1
SCHEMBL4925815 0.82 AKT3 (0.71) AKT3HDAC1HDAC6

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
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
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 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 (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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN AKT3 1872/4885MAPK8 495/4885PIK3CA 1819/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB AKT3 3904/4885MAPK8 2551/4885PIK3CA 112/4885

“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.