SCHEMBL4688528

SCHEMBL4688528

O=C(O)N1CCC(c2c[nH]c3c(CO)cc(-c4ccccc4)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.50
CHUK O15111 6/20 0.50
BTK Q06187 2/20 0.47
AURKA O14965 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1E P49674 1/20 0.47
CSF1R P07333 1/20 0.46
HSD11B1 P28845 1/20 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
SCHEMBL4686433 0.87 IKBKB (0.47) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14030814 0.82 IKBKB (0.47) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4690557 0.77 IKBKB (0.58) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4685170 0.71 IKBKB (0.62) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4688555 0.71 IKBKB (0.74) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4392361 0.71 KMT2A (0.41)
SCHEMBL4688542 0.71 IKBKB (0.50) IKBKBCHUKBTKAURKAFLT3
SCHEMBL27201572 0.70 HSD11B1 (0.64) HSD11B1
SCHEMBL4685335 0.70 IKBKB (0.69) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14030839 0.70 IKBKB (0.66) IKBKBCHUKBTKAURKAFLT3

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 4 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
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.