SCHEMBL4092536

SCHEMBL4092536

CN(C)CCOc1cccc(-c2cc(NC(N)=O)c(C(N)=O)s2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.71
CHEK1 O14757 5/20 0.60
DYRK3 O43781 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PKN2 Q16513 1/20 0.49
PIM3 Q86V86 1/20 0.49
BRSK1 Q8TDC3 1/20 0.49
AURKB Q96GD4 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
STK17A Q9UEE5 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
MAP3K7 O43318 1/20 0.48
PTPN1 P18031 1/20 0.47
CDK2AP1 O14519 2/20 0.46

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
SCHEMBL4086891 0.95 IKBKB (0.69) IKBKBCHEK1MAP3K7PTPN1
SCHEMBL1385148 0.90 CHEK1 (0.73) IKBKBCHEK1MAP3K7
SCHEMBL4088607 0.85 CHEK1 (0.74) IKBKBCHEK1MAP3K7
SCHEMBL1383137 0.83 IKBKB (1.00) IKBKBCHEK1MAP3K7PTPN1
SCHEMBL4082483 0.81 IKBKB (0.60) IKBKBCHEK1MAP3K7
SCHEMBL4087548 0.81 IKBKB (0.64) IKBKBCHEK1MAP3K7
SCHEMBL4081523 0.80 CHEK1 (0.63) IKBKBCHEK1MAP3K7
SCHEMBL7478158 0.79 IKBKB (0.60) IKBKBCHEK1RPS6KB1MAP3K7
SCHEMBL1382301 0.78 IKBKB (1.00) IKBKBCHEK1MAP4K4PTPN1
SCHEMBL4092564 0.76 IKBKB (0.56) IKBKBCHEK1MAP3K7

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-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US claimed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP claimed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US claimed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT IKBKB 3065/4885CHEK1 2784/4885DYRK3 568/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IKBKB 2413/4885CHEK1 3060/4885DYRK3 2590/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB IKBKB 3/4885CHEK1 1097/4885DYRK3 1071/4885

“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.