SCHEMBL4595720

SCHEMBL4595720

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.45
CHUK O15111 3/20 0.45
AURKA O14965 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1E P49674 1/20 0.41
BTK Q06187 1/20 0.41
SLC6A4 P31645 7/20 0.38
DRD2 P14416 4/20 0.38
HTR1A P08908 5/20 0.37
HTR2A P28223 3/20 0.36
HTR7 P34969 3/20 0.36
HTR6 P50406 2/20 0.36
KCNH2 Q12809 1/20 0.35
BRD4 O60885 1/20 0.35

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 0.92 IKBKB (0.46) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4590044 0.92 IKBKB (0.46) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5034346 0.85 IKBKB (0.44) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4589503 0.83 IKBKB (0.65) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL14528352 0.80 IKBKB (0.52) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5040242 0.80 IKBKB (0.49) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5035290 0.75 IKBKB (0.52) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL5034411 0.75 HRH2 (0.32) SLC6A4DRD2
SCHEMBL4588693 0.74 IKBKB (0.66) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4590178 0.74 IKBKB (0.66) 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-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

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.