SCHEMBL621271

SCHEMBL621271

NC(=O)c1cc(-c2csc(CN3CCCCCC3)c2)cc2c(CC3CCS(=O)(=O)CC3)c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.44
CHUK O15111 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BTK Q06187 2/20 0.34
CSF1R P07333 1/20 0.34
AURKA O14965 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL621272 0.93 IKBKB (0.39) IKBKBCHUKHRH3BTKCSF1R
SCHEMBL619148 0.87 IKBKB (0.60) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621270 0.85 IKBKB (0.61) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621457 0.84 IKBKB (0.61) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618927 0.83 IKBKB (0.48) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL619145 0.83 IKBKB (0.62) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621081 0.82 IKBKB (0.62) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618765 0.81 IKBKB (0.56) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL619147 0.81 IKBKB (0.51) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL14049738 0.80 IKBKB (0.41) IKBKBCHUKHRH3BTKCSF1R

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 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 (2 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IKBKB 8/4885CHUK 14/4885HRH3 129/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IKBKB 8/4885CHUK 14/4885HRH3 134/4885

“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.