SCHEMBL3395481

SCHEMBL3395481

CCN(CC)CCS(=O)(=O)N1CCC(c2n[nH]c3c(C(N)=O)cc(-c4cccc(F)c4)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.57
CHUK O15111 4/20 0.50
BTK Q06187 2/20 0.50
AURKA O14965 1/20 0.50
FLT3 P36888 1/20 0.50
CSNK1E P49674 1/20 0.50
PARP1 P09874 1/20 0.36
MAP4K4 O95819 3/20 0.36
DYRK1A Q13627 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 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
SCHEMBL3390031 0.95 IKBKB (0.63) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3392939 0.92 IKBKB (0.56) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3391386 0.88 IKBKB (0.50) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3393102 0.87 IKBKB (0.57) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3395945 0.86 IKBKB (0.62) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3396615 0.85 IKBKB (0.53) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3393242 0.85 IKBKB (0.57) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3390026 0.85 IKBKB (0.57) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3396364 0.84 IKBKB (0.54) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3395708 0.84 IKBKB (0.64) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501780-B2 Indazole carboxamides and their use GLAXOSMITHKLINE LLC (US) 2013-08-06 US disclosed
US-8501780-B2 Indazole carboxamides and their use GLAXOSMITHKLINE LLC (US) 2013-08-06 US disclosed
US-8501780-B2 Indazole carboxamides and their use GLAXOSMITHKLINE LLC (US) 2013-08-06 US disclosed
EP-1758578-B1 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE GLAXOSMITHKLINE LLC (US) 2010-12-29 EP disclosed
EP-1758578-B1 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE GLAXOSMITHKLINE LLC (US) 2010-12-29 EP disclosed
EP-1758578-A4 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20070281933-A1 Novel Indazole Carboxamides And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-06 US disclosed
US-20070281933-A1 Novel Indazole Carboxamides And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-06 US disclosed
US-20070281933-A1 Novel Indazole Carboxamides And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-06 US disclosed
EP-1758578-A2 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE Smithkline Beecham Corporation (US) 2007-03-07 EP disclosed
WO-2006002434-A2 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 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-20070281933-A1 Novel Indazole Carboxamides And Their Use IKBKG, IRAK2, NFKBIA IKBKB 8/4885CHUK 9/4885BTK 140/4885

“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.