SCHEMBL553614

SCHEMBL553614

CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccc(CNS(=O)(=O)c5cccc6nonc56)c4)cc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.61
CHUK O15111 5/20 0.61
AURKA O14965 1/20 0.56
FLT3 P36888 1/20 0.56
CSNK1E P49674 1/20 0.56
BTK Q06187 1/20 0.56
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL552162 0.86 IKBKB (0.68) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552468 0.85 IKBKB (0.75) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551700 0.84 IKBKB (0.74) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551530 0.84 IKBKB (0.74) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552407 0.84 IKBKB (0.64) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL551570 0.84 IKBKB (0.64) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552553 0.83 IKBKB (0.63) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552353 0.83 IKBKB (0.63) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14626698 0.83 IKBKB (0.63) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552900 0.83 IKBKB (0.72) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP claimed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO claimed
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-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP 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

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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885AURKA 644/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885AURKA 644/4885

“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.