SCHEMBL4928236

SCHEMBL4928236

COc1ccc(Nc2nccc(-c3ccc(C(=O)NCc4ccccc4OC)s3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
AKT3 Q9Y243 7/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
IKBKB O14920 1/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
BTK Q06187 1/20 0.45
HDAC1 Q13547 1/20 0.44
PTK2 Q05397 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
SCHEMBL4925044 0.90 AKT3 (0.52) MAPTAKT3IKBKBBTKPTK2
SCHEMBL4919699 0.90 AKT3 (0.60) MAPTAKT3BTKHDAC1
SCHEMBL3972858 0.88 AKT3 (0.57) MAPTAKT3IKBKBHDAC1
SCHEMBL4925751 0.87 AKT3 (0.63) MAPTAKT3HPGDALDH1A1HDAC1
SCHEMBL4925815 0.85 AKT3 (0.71) AKT3POLBGAAHDAC1
SCHEMBL4919836 0.84 AKT3 (0.52) MAPTAKT3
SCHEMBL3980987 0.83 AKT3 (0.71) AKT3IKBKBGAAHDAC1
SCHEMBL4926173 0.83 AKT3 (0.58) MAPTAKT3CYP1A2CYP3A4CYP2C9
SCHEMBL4923078 0.82 ROCK1 (0.53) AKT3POLBHPGDALDH1A1HDAC1
SCHEMBL4927821 0.82 AKT3 (0.61) AKT3

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 9 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
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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 MAPT 1904/4885AKT3 1872/4885CYP1A2 68/4885
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 MAPT 338/4885AKT3 3904/4885CYP1A2 1798/4885

“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.