SCHEMBL4929947

SCHEMBL4929947

CN(C)CC(C)(C)CNC(=O)c1ccc(-c2ccnc(N)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 17/20 0.52
BTK Q06187 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39

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
SCHEMBL3978668 0.79 AKT3 (0.51) AKT3ALDH1A1CDK2
SCHEMBL14619255 0.79 AKT3 (0.46) AKT3KDM4EALDH1A1GAA
SCHEMBL5005888 0.77 AKT3 (0.58) AKT3BTKKDM4EALDH1A1CDC7
SCHEMBL5000463 0.75 AKT3 (0.61) AKT3BTKKDM4EALDH1A1
SCHEMBL4919817 0.74 AKT3 (0.57) AKT3ALDH1A1CDC7
SCHEMBL5000349 0.74 AKT3 (0.60) AKT3BTK
SCHEMBL14007210 0.74 AKT3 (0.55) AKT3BTK
SCHEMBL3974029 0.74 KDM4E (0.46) KDM4EALDH1A1GAACYP2D6CYP2C9
SCHEMBL4931255 0.73 AKT3 (0.59) AKT3BTK
SCHEMBL4923587 0.73 AKT3 (0.55) AKT3BTKKDM4EALDH1A1

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 AKT3 1872/4885BTK 1339/4885KDM4E 4493/4885

“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.