SCHEMBL4925815

SCHEMBL4925815

COc1ccc(Nc2nccc(-c3ccc(C(=O)NCc4ccc(F)cc4)s3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 9/20 0.71
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KCNH3 Q9ULD8 2/20 0.48
CNR2 P34972 1/20 0.47
CDK9 P50750 2/20 0.47
CDK2 P24941 2/20 0.47
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CDK7 P50613 1/20 0.47
AURKB Q96GD4 1/20 0.47
CCNT1 O60563 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 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
SCHEMBL4925751 0.95 AKT3 (0.63) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL4926173 0.91 AKT3 (0.58) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL3972858 0.91 AKT3 (0.57) AKT3HDAC3HDAC1HDAC4HDAC6
SCHEMBL4929406 0.90 AKT3 (0.57) AKT3KCNH3CNR2CDK9CDK2
SCHEMBL3980195 0.88 AKT3 (0.71) AKT3KCNH3CDK9CDK2AURKA
SCHEMBL4919836 0.86 AKT3 (0.52) AKT3CNR2
SCHEMBL4925044 0.86 AKT3 (0.52) AKT3CNR2AURKB
SCHEMBL4928236 0.85 MAPT (0.51) AKT3HDAC1POLBGAA
SCHEMBL4927821 0.84 AKT3 (0.61) AKT3CNR2
SCHEMBL5003926 0.83 AKT3 (1.00) 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 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 1872/4885HDAC3 201/4885HDAC1 261/4885
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 3904/4885HDAC3 1847/4885HDAC1 1504/4885

“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.