SCHEMBL5898711

SCHEMBL5898711

NC(=O)c1cc(-c2ccccc2)sc1NCc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.68
▸ JAK3 P52333 3/20 0.59
▸ IKBKB O14920 1/20 0.59
▸ CDC7 O00311 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55
▸ MKNK2 Q9HBH9 1/20 0.55

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
SCHEMBL1890249 0.81 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL614262 0.81 CDC7 (0.65) JAK2IKBKBCDC7ROCK2MAP4K4
SCHEMBL5898676 0.78 JAK2 (0.54) JAK2JAK3IKBKB
SCHEMBL4088216 0.75 IKBKB (0.74) JAK2JAK3IKBKBMAP4K4
SCHEMBL1385889 0.74 JAK2 (1.00) JAK2JAK3IKBKBMAP4K4
SCHEMBL1579949 0.73 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL1579845 0.73 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL5718299 0.73 CDC7 (0.64) CDC7ROCK2MAP4K4GSK3BCLK4
SCHEMBL1579439 0.72 JAK2 (0.78) JAK2JAK3IKBKB
SCHEMBL3512122 0.72 JAK2 (1.00) JAK2JAK3IKBKB

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
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 — — US disclosed
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-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 JAK2 171/4885JAK3 275/4885IKBKB 2/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG JAK2 308/4885JAK3 473/4885IKBKB 2/4885

“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.

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