SCHEMBL5898652

SCHEMBL5898652

COc1ccc(-c2cc(C(N)=O)c(NC(C)=O)s2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.83
IKBKB O14920 5/20 0.61
JAK2 O60674 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
EIF2AK2 P19525 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
JAK3 P52333 1/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
PPARG P37231 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
SCHEMBL4089013 0.91 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL7058344 0.87 CHEK1 (0.79) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898675 0.86 CHEK1 (0.62) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898631 0.85 IKBKB (0.60) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898638 0.85 IKBKB (0.60) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898645 0.84 IKBKB (0.80) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898665 0.84 IKBKB (0.59) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898689 0.84 IKBKB (0.59) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL5898695 0.83 JAK2 (0.78) IKBKBJAK2JAK3
SCHEMBL3612027 0.82 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1KMT2A

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 CHEK1 726/4885IKBKB 2/4885JAK2 171/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG CHEK1 449/4885IKBKB 2/4885JAK2 308/4885

“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.