SCHEMBL5898696

SCHEMBL5898696

CNC(=O)Nc1sc(-c2ccsc2)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.54
JAK2 O60674 2/20 0.51
JAK3 P52333 1/20 0.51
CHEK1 O14757 3/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MEN1 O00255 1/20 0.49
EIF2AK2 P19525 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CDK2AP1 O14519 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL7058017 0.96 IKBKB (0.57) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL7050462 0.88 CHEK1 (0.54) IKBKBCHEK1HDAC6ALDH1A1MAPT
SCHEMBL5898669 0.87 IKBKB (0.56) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898667 0.83 IKBKB (0.74) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7056317 0.82 IKBKB (0.76) IKBKBCHEK1HDAC6MEN1KMT2A
SCHEMBL5898642 0.82 IKBKB (0.58) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL7058327 0.82 IKBKB (0.58) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL5898657 0.81 IKBKB (0.76) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL7051641 0.81 IKBKB (0.56) IKBKBJAK2JAK3CHEK1HDAC6
SCHEMBL7056909 0.80 IKBKB (0.82) IKBKBJAK2JAK3CHEK1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US claimed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP claimed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP claimed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO claimed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US disclosed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP disclosed
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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 (2 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-20060030596-A1 NF-kappaB inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885JAK2 171/4885JAK3 275/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885JAK2 308/4885JAK3 473/4885

“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.