SCHEMBL1928545

SCHEMBL1928545

CC(C)(C)OC(=O)N1CCN(c2cnc(-c3cc(C(N)=O)c(NC(N)=O)s3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
PTPN11 Q06124 1/20 0.41
CHEK1 O14757 8/20 0.41
WNT3A P56704 1/20 0.40
IKBKB O14920 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ATR Q13535 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL1929091 0.86 IKBKB (0.44) MEN1KMT2ASYKCHEK1IKBKB
SCHEMBL1926507 0.82 CHEK1 (0.53) MEN1MAPTKMT2ACHEK1IKBKB
SCHEMBL1928501 0.80 IKBKB (0.47) MEN1KMT2APTPN11CHEK1IKBKB
SCHEMBL1928723 0.80 JAK2 (0.46) MEN1MAPTKMT2ASMN1; SMN2CHEK1
SCHEMBL27535785 0.78 GPR119 (0.47) TBK1MEN1MAPTTSHRKMT2A
SCHEMBL1929057 0.78 IKBKB (0.45) MEN1KMT2ASYKCHEK1IKBKB
SCHEMBL1927898 0.74 MCHR1 (0.41) MEN1KMT2ACHEK1IKBKBJAK2
SCHEMBL1929398 0.73 CHEK1 (0.50) MEN1MAPTKMT2ACHEK1IKBKB
SCHEMBL16892019 0.72 PIK3CA (0.59) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20311204 0.71 GPR119 (0.57) MEN1MAPTTSHRKMT2ASMN1; SMN2

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
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP 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 TBK1 1797/4885MEN1 1642/4885MAPT 2155/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 TBK1 1875/4885MEN1 1990/4885MAPT 2306/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 TBK1 1797/4885MEN1 1642/4885MAPT 2155/4885

“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.