SCHEMBL3802012

SCHEMBL3802012

CN(C)CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(CN5CCOCC5)cc4)cc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.70
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
JAK2 O60674 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
SCHEMBL3799484 0.94 IKBKB (0.71) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552629 0.93 IKBKB (0.70) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14366024 0.91 IKBKB (0.74) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL552176 0.90 IKBKB (0.72) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3797643 0.89 IKBKB (0.75) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3792395 0.87 IKBKB (0.78) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3797158 0.86 IKBKB (0.90) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3796790 0.85 IKBKB (0.74) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3800746 0.84 IKBKB (0.86) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3797653 0.84 IKBKB (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 US claimed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-7858796-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-12-28 US disclosed
US-20070254873-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2007-11-01 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-20070254873-A1 Chemical Compounds IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885AURKA 644/4885

“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.