SCHEMBL3392013

SCHEMBL3392013

Cc1nc(S(=O)(=O)N2CCC(c3n[nH]c4c(C(N)=O)cc(-c5cccc(NS(C)(=O)=O)c5)cc34)CC2)cn1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.41
CHUK O15111 7/20 0.41
AAK1 Q2M2I8 1/20 0.38
BTK Q06187 2/20 0.37
AURKA O14965 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1E P49674 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KIT P10721 1/20 0.36
BRD4 O60885 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL3395738 0.92 BTK (0.43) IKBKBCHUKAAK1BTKAURKA
SCHEMBL3392925 0.89 IKBKB (0.49) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3392371 0.85 MAPT (0.39) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3393313 0.83 IKBKB (0.41) IKBKBCHUKBTKAURKAFLT3
SCHEMBL27679138 0.83 IKBKB (0.48) IKBKBCHUKAAK1BTKAURKA
SCHEMBL3395813 0.82 TLR9 (0.39) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3391160 0.81 CHUK (0.48) IKBKBCHUKAAK1BTK
SCHEMBL3391871 0.80 IKBKB (0.58) IKBKBCHUKAAK1BTKAURKA
SCHEMBL14365526 0.79 IKBKB (0.42) IKBKBCHUKAAK1BTKAURKA
SCHEMBL3393211 0.79 GPR119 (0.43) IKBKBCHUKAAK1BTKCSNK1E

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 9/4885AAK1 1831/4885

“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.