SCHEMBL1687237

SCHEMBL1687237

COCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(B4OC(C)(C)C(C)(C)O4)cc23)CC1.OBO

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.53
CHUK O15111 5/20 0.53
AURKA O14965 1/20 0.53
FLT3 P36888 1/20 0.53
CSNK1E P49674 1/20 0.53
BTK Q06187 1/20 0.53
TYRO3 Q06418 1/20 0.33

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
SCHEMBL1686893 0.98 IKBKB (0.55) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL553092 0.89 IKBKB (0.63) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL1686790 0.82 IKBKB (0.60) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14049569 0.79 IKBKB (0.59) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3803112 0.79 IKBKB (0.82) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3801477 0.77 IKBKB (0.59) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL10075361 0.77 IKBKB (0.33) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14049952 0.76 IKBKB (0.43) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL619173 0.76 IKBKB (0.48) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL619172 0.76 IKBKB (0.58) IKBKBCHUKAURKAFLT3CSNK1E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354539-B2 Indole derivatives as IKK2 inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-20120010244-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-01-12 US 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-20120010244-A1 INDOLE DERIVATIVES AS IKK2 INHIBITORS NFKBIA, IKBKG, IDO2 IKBKB 5/4885CHUK 7/4885AURKA 306/4885

“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.