SCHEMBL5898658

SCHEMBL5898658

CC(=O)Nc1sc(-c2ccccc2Br)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.52
IKBKB O14920 1/20 0.52
JAK3 P52333 1/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTK2 Q05397 1/20 0.44

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
SCHEMBL1681463 0.85 JAK2 (0.53) JAK2IKBKBJAK3MEN1ALDH1A1
SCHEMBL5898693 0.84 JAK2 (0.61) JAK2IKBKBJAK3MEN1ALDH1A1
SCHEMBL5898653 0.82 IKBKB (0.58) JAK2IKBKBJAK3MEN1ALDH1A1
SCHEMBL5898689 0.81 IKBKB (0.59) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL5898695 0.81 JAK2 (0.78) JAK2IKBKBJAK3
SCHEMBL5898673 0.80 JAK2 (0.64) JAK2IKBKBJAK3MEN1ALDH1A1
SCHEMBL5898714 0.80 JAK2 (0.54) JAK2IKBKBJAK3MEN1ALDH1A1
SCHEMBL5898637 0.79 JAK2 (0.48) JAK2IKBKBJAK3MEN1ALDH1A1
SCHEMBL5898690 0.78 JAK2 (0.61) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL5898668 0.76 PTK2 (0.54) JAK2IKBKBJAK3MEN1ALDH1A1

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.