SCHEMBL1928293

SCHEMBL1928293

NC(=O)Nc1sc(-c2ccccc2OCCN2CCC(O)CC2)cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.57
CHEK1 O14757 9/20 0.56
JAK2 O60674 2/20 0.46
JAK3 P52333 1/20 0.46
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR7 P34969 4/20 0.42
HTR1A P08908 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EIF2AK2 P19525 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1928202 0.87 IKBKB (0.61) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1927662 0.86 IKBKB (0.56) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL3885386 0.86 IKBKB (0.62) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1929724 0.83 IKBKB (0.55) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1926930 0.81 IKBKB (0.68) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1926957 0.80 CHEK1 (0.61) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL10051819 0.80 IKBKB (0.70) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1928049 0.80 IKBKB (0.49) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1930302 0.79 IKBKB (0.55) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1929768 0.79 IKBKB (0.59) IKBKBCHEK1JAK2JAK3KDM4E

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 15 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
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO 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 3173/4885CHEK1 3163/4885JAK2 166/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 IKBKB 2989/4885CHEK1 3264/4885JAK2 422/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 IKBKB 3173/4885CHEK1 3163/4885JAK2 166/4885

“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.