SCHEMBL1928013

SCHEMBL1928013

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)s2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
JAK2 O60674 5/20 0.42
JAK3 P52333 1/20 0.42
PDE4B Q07343 1/20 0.41
PARP1 P09874 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
CHEK1 O14757 6/20 0.40
KDM1A O60341 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.39
EIF2AK2 P19525 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
JAK1 P23458 3/20 0.38

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
SCHEMBL1929412 0.86 CHEK1 (0.51) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1927981 0.85 IKBKB (0.54) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1926920 0.82 IKBKB (0.50) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1929238 0.82 IKBKB (0.48) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1929905 0.82 IKBKB (0.47) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1928049 0.80 IKBKB (0.49) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1928260 0.80 IKBKB (0.56) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1928501 0.79 IKBKB (0.47) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL3886201 0.79 IKBKB (0.53) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL3886139 0.77 CHEK1 (0.51) IKBKBJAK2JAK3CHEK1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US claimed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
WO-2008002246-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN IKK2 INHIBITOR AND A SECOND ACTIVE INGRDIENT. ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885JAK2 166/4885JAK3 567/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 IKBKB 2989/4885JAK2 422/4885JAK3 927/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885JAK2 166/4885JAK3 567/4885

“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.