SCHEMBL4590044

SCHEMBL4590044

CCS(=O)(=O)N1CCC(c2c[nH]c3c(C#N)cc(Oc4ccc(C)cc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.46
CHUK O15111 3/20 0.46
AURKA O14965 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1E P49674 1/20 0.42
BTK Q06187 1/20 0.42
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
DRD4 P21917 1/20 0.34
AR P10275 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 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
SCHEMBL4590194 0.93 IKBKB (0.46) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4595720 0.92 IKBKB (0.45) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5034346 0.84 IKBKB (0.44) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4588693 0.83 IKBKB (0.66) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14528352 0.80 IKBKB (0.52) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5040242 0.80 IKBKB (0.49) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5035290 0.76 IKBKB (0.52) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4590178 0.75 IKBKB (0.66) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4589503 0.75 IKBKB (0.65) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4589931 0.71 IKBKB (0.62) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
US-20080269291-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2008-10-30 US disclosed
EP-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080269291-A1 Chemical Compounds IDO2, IKBKG, NFKBIA IKBKB 8/4885CHUK 28/4885AURKA 1253/4885

“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.