SCHEMBL4686922

SCHEMBL4686922

O=C(O)c1cc(-c2ccc(Cl)cc2)cc2cc[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.76
CHUK O15111 9/20 0.76
AURKA O14965 2/20 0.52
TPX2 Q9ULW0 2/20 0.52
KEAP1 Q14145 1/20 0.49
NOTUM Q6P988 1/20 0.46
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
MAPK14 Q16539 1/20 0.42
FTO Q9C0B1 1/20 0.42
PTGES O14684 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4685346 0.87 IKBKB (1.00) IKBKBCHUKAURKATPX2
SCHEMBL3796186 0.86 IKBKB (0.77) IKBKBCHUKKEAP1NPC1
SCHEMBL988532 0.82 KEAP1 (0.56) IKBKBCHUKAURKATPX2KEAP1
SCHEMBL4690245 0.77 IKBKB (0.76) IKBKBCHUKKEAP1ALDH1A1HPGD
SCHEMBL4689422 0.76 IKBKB (0.97) IKBKBCHUK
SCHEMBL8780719 0.75 AURKA (0.50) IKBKBCHUKAURKATPX2NOTUM
SCHEMBL3802579 0.74 IKBKB (1.00) IKBKBCHUK
SCHEMBL5187370 0.74 KEAP1 (0.58) IKBKBCHUKKEAP1XDHSLC22A12
SCHEMBL17802186 0.74 KEAP1 (0.58) IKBKBCHUKAURKATPX2KEAP1
SCHEMBL29696573 0.74 KEAP1 (0.58) IKBKBCHUKAURKATPX2KEAP1

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 7 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 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 6/4885AURKA 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.