SCHEMBL552955

SCHEMBL552955

NC(=O)c1cc(Br)cc2c(C3CCNCC3)c[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.67
CHUK O15111 6/20 0.67
BTK Q06187 2/20 0.51
CSF1R P07333 1/20 0.51
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AURKA O14965 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1E P49674 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL552987 0.99 IKBKB (0.66) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL14018294 0.86 IKBKB (0.69) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL619416 0.85 IKBKB (0.56) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL619417 0.85 IKBKB (0.69) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL27713739 0.83 IKBKB (0.52) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL620867 0.81 IKBKB (0.64) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL620866 0.81 IKBKB (0.53) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL619484 0.81 IKBKB (0.58) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL621054 0.81 IKBKB (0.55) IKBKBCHUKBTKCSF1RMEN1
SCHEMBL619631 0.81 IKBKB (0.58) IKBKBCHUKBTKCSF1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP claimed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP claimed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 WO claimed
US-8354539-B2 Indole derivatives as IKK2 inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
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
CN-101247804-B chemical compound SMITHKLINE BEECHAM CORP 2012-09-26 CN 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
EP-2406249-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2012-01-18 EP disclosed
EP-1793826-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-06-13 EP 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
CN-1933830-A Indole derivatives and their use as kinase inhibitors, in particular IKK2 inhibitors SMITHKLINE BEECHAM CORP (US) 2007-03-21 CN disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 WO 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 (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-20120035164-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.