SCHEMBL5898690

SCHEMBL5898690

CC(=O)Nc1sc(-c2cccc(Br)c2)cc1C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.61
IKBKB O14920 3/20 0.61
JAK3 P52333 1/20 0.61
MEN1 O00255 1/20 0.52
EIF2AK2 P19525 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CHEK1 O14757 1/20 0.52

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
SCHEMBL5898689 0.88 IKBKB (0.59) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898695 0.88 JAK2 (0.78) JAK2IKBKBJAK3
SCHEMBL5898706 0.86 IKBKB (0.63) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898648 0.85 JAK2 (0.64) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898656 0.85 JAK2 (0.64) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898639 0.82 JAK2 (0.65) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898674 0.82 IKBKB (0.59) JAK2IKBKBJAK3CHEK1
SCHEMBL5898692 0.82 JAK2 (0.59) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898672 0.82 IKBKB (0.59) JAK2IKBKBJAK3CHEK1
SCHEMBL5898678 0.81 JAK2 (0.57) JAK2IKBKBJAK3CHEK1

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-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US claimed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 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 (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 JAK2 171/4885IKBKB 2/4885JAK3 275/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG JAK2 308/4885IKBKB 2/4885JAK3 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.