SCHEMBL1928501

SCHEMBL1928501

CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2cc(C(N)=O)c(NC(N)=O)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.47
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
CHEK1 O14757 7/20 0.46
BACE1 P56817 1/20 0.42
PTPN11 Q06124 1/20 0.42
PDK2 Q15119 1/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.41
EIF2AK2 P19525 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP14 Q460N5 1/20 0.41
KIT P10721 1/20 0.40

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
SCHEMBL1929398 0.85 CHEK1 (0.50) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1926933 0.85 CHEK1 (0.57) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1928545 0.80 TBK1 (0.43) IKBKBJAK2JAK3CHEK1PTPN11
SCHEMBL1926788 0.80 CHEK1 (0.52) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL1989428 0.80 IKBKB (0.42) IKBKBJAK2JAK3CHEK1
SCHEMBL6159637 0.76 NPC1 (0.57) SMARCA2SMARCA4PBRM1BACE1PTPN11
SCHEMBL2930894 0.76 IKBKB (0.48) IKBKBJAK2JAK3CHEK1
SCHEMBL5213325 0.73 NR1H2 (0.51) IKBKBJAK2JAK3CHEK1
SCHEMBL20818663 0.72 CKS1B (0.58) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL27516690 0.71 SMARCA2 (0.48) SMARCA2SMARCA4PBRM1BACE1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN 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.