SCHEMBL1687111

SCHEMBL1687111

CC(C)(C)C1CC(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.46
CHUK O15111 6/20 0.46
BTK Q06187 2/20 0.43
AURKA O14965 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1E P49674 1/20 0.43
CSF1R P07333 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
SCHEMBL27713739 0.83 IKBKB (0.52) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3800450 0.82 IKBKB (0.51) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3792010 0.81 IKBKB (0.50) IKBKBCHUKBTKAURKAFLT3
SCHEMBL553089 0.77 IKBKB (0.46) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552099 0.76 IKBKB (0.72) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5032057 0.74 IKBKB (0.34) IKBKBCHUK
SCHEMBL553190 0.74 IKBKB (0.73) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552955 0.74 IKBKB (0.67) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14391471 0.73 IKBKB (0.46) IKBKBCHUKBTKAURKAFLT3
Hydrochloric Acid SCHEMBL552987 0.73 IKBKB (0.66) IKBKBCHUKBTKAURKAFLT3

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 7 patents. 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-20120010244-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-01-12 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
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
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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 (3 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA IKBKB 8/4885CHUK 28/4885BTK 864/4885
US-20120010244-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS NFKBIA, IKBKG, IDO2 IKBKB 5/4885CHUK 7/4885BTK 539/4885
US-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885BTK 386/4885

“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.