SCHEMBL3392344

SCHEMBL3392344

CCS(=O)(=O)N1CCC(c2n[nH]c3c(C#N)cc(-c4ccccc4F)cc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.37
CHUK O15111 2/20 0.37
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
PGR P06401 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B10 Q99714 1/20 0.34
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
PROKR1 Q8TCW9 1/20 0.34
AURKA O14965 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1E P49674 1/20 0.34
BTK Q06187 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GSK3B P49841 2/20 0.33
USP30 Q70CQ3 1/20 0.33
SSTR2 P30874 1/20 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
SCHEMBL3395806 0.86 IKBKB (0.39) IKBKBCHUKDYRK1APROKR1AURKA
SCHEMBL3393092 0.83 IKBKB (0.54) IKBKBCHUKWNT1DYRK1AAURKA
SCHEMBL3395593 0.80 IKBKB (0.32) IKBKBCHUKPGRCYP2D6CYP2C9
SCHEMBL3391403 0.70 IKBKB (0.69) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3392308 0.70 IKBKB (0.53) IKBKBCHUKWNT1DYRK1AAURKA
SCHEMBL3395187 0.69 IKBKB (0.57) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3392939 0.69 IKBKB (0.56) IKBKBCHUKDYRK1AAURKAFLT3
SCHEMBL3396364 0.69 IKBKB (0.54) IKBKBCHUKWNT1DYRK1AAURKA
SCHEMBL4664952 0.68 IKBKB (0.51) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3391379 0.68 HPGDS (0.45) USP30

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 12 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
CN-101005836-A Novel indazole carboxamides and their use SMITHKLINE BEECHAM CORP (US) 2007-07-25 CN 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 9/4885WNT1 2870/4885

“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.