SCHEMBL4684550

SCHEMBL4684550

CCCS(=O)(=O)N1CC=C(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.64
CHUK O15111 4/20 0.64
AURKA O14965 1/20 0.64
FLT3 P36888 1/20 0.64
CSNK1E P49674 1/20 0.64
BTK Q06187 1/20 0.64
MMP2 P08253 3/20 0.46
MMP3 P08254 3/20 0.46

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
SCHEMBL4688714 0.88 TDO2 (0.56) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3792407 0.79 HTR1A (0.56) IKBKBCHUK
SCHEMBL4686428 0.78 IKBKB (1.00) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4689274 0.75 TNIK (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4688377 0.75 OPRM1 (0.58) IKBKBCHUK
SCHEMBL4688357 0.74 IKBKB (0.53) IKBKBCHUKBTK
SCHEMBL4685297 0.74 IKBKB (0.65) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14018286 0.74 TDO2 (0.53) BTK
SCHEMBL4690601 0.74 IKBKB (0.56) IKBKBCHUKBTK
SCHEMBL4686147 0.73 TDO2 (0.52) IKBKBBTK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP claimed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US claimed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP claimed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 WO claimed
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 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-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 IKBKB 2/4885CHUK 6/4885AURKA 873/4885

“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.