SCHEMBL4686346

SCHEMBL4686346

Cc1ccccc1-c1cc(C(N)=O)c2[nH]ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.74
CHUK O15111 10/20 0.70
PDPK1 O15530 1/20 0.51
MCL1 Q07820 1/20 0.43
BTK Q06187 2/20 0.43
JAK2 O60674 1/20 0.43
ADRB1 P08588 1/20 0.43
BRD4 O60885 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL4688482 0.85 IKBKB (0.72) IKBKBCHUKPDPK1BTK
SCHEMBL4688453 0.85 IKBKB (1.00) IKBKBCHUKPDPK1BTKJAK2
SCHEMBL4684363 0.84 IKBKB (0.70) IKBKBCHUKPDPK1MCL1BTK
SCHEMBL27658369 0.83 IKBKB (0.69) IKBKBCHUKPDPK1BTKADRB1
SCHEMBL3802579 0.82 IKBKB (1.00) IKBKBCHUKPDPK1
SCHEMBL27678479 0.82 IKBKB (0.65) IKBKBCHUKPDPK1BTKADRB1
SCHEMBL4689422 0.81 IKBKB (0.97) IKBKBCHUKPDPK1
SCHEMBL4687705 0.80 IKBKB (0.78) IKBKBCHUKPDPK1ADRB1KEAP1
SCHEMBL4689165 0.79 IKBKB (0.91) IKBKBCHUKPDPK1KEAP1
SCHEMBL4686296 0.78 IKBKB (0.62) IKBKBCHUKMCL1BTK

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
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
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 6/4885PDPK1 146/4885

“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.