SCHEMBL3395580

SCHEMBL3395580

NC(=O)c1cc(Br)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.41
CHUK O15111 4/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1E P49674 1/20 0.40
BTK Q06187 1/20 0.40
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR1 P21554 3/20 0.35
SMYD3 Q9H7B4 3/20 0.33

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
SCHEMBL3395534 0.88 IKBKB (0.48) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3395707 0.88 IKBKB (0.42) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3395721 0.88 IKBKB (0.54) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3396619 0.88 IKBKB (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3392290 0.86 IKBKB (0.58) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3395375 0.83 IKBKB (0.46) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3393350 0.82 IKBKB (0.45) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3391386 0.82 IKBKB (0.50) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3793013 0.82 IKBKB (0.60) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL13008558 0.80 IKBKB (0.34) 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 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 9/4885AURKA 642/4885

“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.