SCHEMBL553089

SCHEMBL553089

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.46
CHUK O15111 5/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
AURKA O14965 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1E P49674 1/20 0.44
BTK Q06187 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL14018415 0.89 IKBKB (0.47) IKBKBCHUKKDM4EMAPTTHRB
SCHEMBL14391471 0.86 IKBKB (0.46) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL27713739 0.84 IKBKB (0.52) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4685993 0.84 IKBKB (0.66) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4688385 0.84 IKBKB (0.56) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5024842 0.83 IKBKB (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3798256 0.83 IKBKB (0.64) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4689145 0.83 IKBKB (0.55) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4688238 0.82 HTT (0.54) IKBKBCHUKKDM4EAURKAFLT3
SCHEMBL3800446 0.82 IKBKB (0.51) IKBKBCHUKAURKAFLT3CSNK1E

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354539-B2 Indole derivatives as IKK2 inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-20120010244-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-01-12 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 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 (5 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885KDM4E 1113/4885
US-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA IKBKB 8/4885CHUK 28/4885KDM4E 1178/4885
US-20120010244-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS NFKBIA, IKBKG, IDO2 IKBKB 5/4885CHUK 7/4885KDM4E 1567/4885
US-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885KDM4E 1113/4885
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 IKBKB 2/4885CHUK 6/4885KDM4E 1302/4885

“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.