SCHEMBL552701

SCHEMBL552701

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
JAK1 P23458 1/20 0.45
PDK4 Q16654 1/20 0.45
CNR1 P21554 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL14391466 0.87 SLC6A4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4590003 0.84 WDR5 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12285937 0.81 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12285689 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL141168 0.79 JAK2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6381977 0.79 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6385405 0.79 PDK4 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4686147 0.79 TDO2 (0.52) CCNT1CDK9SLC6A4MAPT
SCHEMBL18129510 0.77 JAK1 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5007703 0.76 JAK1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 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
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US 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-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 (4 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 GABRP 3509/4885GABRD 4390/4885GABRA1 3120/4885
US-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA GABRP 3831/4885GABRD 3991/4885GABRA1 3385/4885
US-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA GABRP 3509/4885GABRD 4390/4885GABRA1 3120/4885
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 GABRP 2382/4885GABRD 3530/4885GABRA1 3902/4885

“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.