SCHEMBL5898676

SCHEMBL5898676

Cc1ccc(-c2cc(C(N)=O)c(NCc3cccnc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.54
▸ JAK3 P52333 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ VNN1 O95497 1/20 0.46
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45

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
SCHEMBL3603463 0.80 CHEK1 (0.66) JAK2JAK3IKBKB
SCHEMBL5898711 0.78 JAK2 (0.68) JAK2JAK3IKBKB
SCHEMBL7055110 0.72 IKBKB (0.74) JAK2JAK3IKBKB
SCHEMBL4086973 0.72 JAK2 (0.72) JAK2JAK3IKBKB
SCHEMBL5898631 0.71 IKBKB (0.60) JAK2JAK3IKBKB
SCHEMBL3680568 0.71 JAK2 (0.70) JAK2JAK3IKBKB
SCHEMBL4206514 0.71 CHEK1 (0.60) ALDH1A1NPC1TP53RAB9AKDM4E
SCHEMBL611981 0.71 KDM4E (0.56) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL1579845 0.71 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL171745 0.70 ALDH1A1 (1.00) ALDH1A1POLBRAB9AKDM4EGAA

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 275/4885ALDH1A1 3653/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG JAK2 308/4885JAK3 473/4885ALDH1A1 4049/4885

“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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