SCHEMBL10050273

SCHEMBL10050273

COCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc5c(c4)CC(C(C)C)C5)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.60
CHUK O15111 5/20 0.60
AURKA O14965 1/20 0.60
FLT3 P36888 1/20 0.60
CSNK1E P49674 1/20 0.60
BTK Q06187 1/20 0.60

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
SCHEMBL1686986 0.88 IKBKB (0.60) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3803112 0.84 IKBKB (0.82) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL17101346 0.81 IKBKB (0.53) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3802568 0.81 IKBKB (0.80) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3796669 0.81 IKBKB (0.67) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3797086 0.81 IKBKB (0.66) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3796803 0.80 IKBKB (0.80) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL1686790 0.79 IKBKB (0.60) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552458 0.79 IKBKB (0.70) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL13020899 0.79 IKBKB (0.68) 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 4 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-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
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.