SCHEMBL4687899

SCHEMBL4687899

NC(=O)c1cc(-c2ccccc2)cc2c(C3CCCCC3)c[nH]c12

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.81
CHUK O15111 6/20 0.81
BTK Q06187 2/20 0.78
CSF1R P07333 1/20 0.78
AURKA O14965 1/20 0.64
FLT3 P36888 1/20 0.64
CSNK1E P49674 1/20 0.64

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
SCHEMBL4686015 0.90 IKBKB (0.92) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL3796938 0.89 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4688449 0.88 IKBKB (0.98) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618621 0.88 IKBKB (0.92) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618622 0.88 IKBKB (0.77) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4685320 0.88 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL620231 0.87 IKBKB (0.84) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL620230 0.87 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618686 0.86 IKBKB (0.81) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL618685 0.86 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA

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
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
CN-1933830-A Indole derivatives and their use as kinase inhibitors, in particular IKK2 inhibitors SMITHKLINE BEECHAM CORP (US) 2007-03-21 CN 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
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
CN-1933830-A Indole derivatives and their use as kinase inhibitors, in particular IKK2 inhibitors SMITHKLINE BEECHAM CORP (US) 2007-03-21 CN 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 6/4885BTK 378/4885

“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.