SCHEMBL4690245

SCHEMBL4690245

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

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.76
CHUK O15111 10/20 0.76
PDPK1 O15530 1/20 0.49
RIPK1 Q13546 1/20 0.47
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ENPP2 Q13822 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KEAP1 Q14145 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.41

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
SCHEMBL4689422 0.88 IKBKB (0.97) IKBKBCHUKPDPK1DHODH
SCHEMBL3802579 0.87 IKBKB (1.00) IKBKBCHUKPDPK1
SCHEMBL4684203 0.86 IKBKB (0.77) IKBKBCHUKPDPK1DHODHKEAP1
SCHEMBL4685346 0.84 IKBKB (1.00) IKBKBCHUKPDPK1RIPK1
SCHEMBL4685618 0.84 IKBKB (0.74) IKBKBCHUKPDPK1RIPK1
SCHEMBL4689165 0.83 IKBKB (0.91) IKBKBCHUKPDPK1DHODHKEAP1
SCHEMBL4687625 0.82 IKBKB (1.00) IKBKBCHUKPDPK1RIPK1
SCHEMBL27658383 0.81 IKBKB (0.78) IKBKBCHUKPDPK1ENPP2
SCHEMBL4687705 0.81 IKBKB (0.78) IKBKBCHUKPDPK1KEAP1
SCHEMBL4688524 0.81 IKBKB (0.62) IKBKBCHUKPDPK1RIPK1ALDH1A1

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 8 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
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 6/4885PDPK1 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.