SCHEMBL3886201

SCHEMBL3886201

NC(=O)Nc1sc(-c2ccccc2OC2CCN(Cc3ccccc3)C2)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.53
CHEK1 O14757 7/20 0.51
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
MCHR1 Q99705 3/20 0.46
OPRK1 P41145 1/20 0.43
BCHE P06276 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHEK2 O96017 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
SCHEMBL3886139 0.94 CHEK1 (0.51) IKBKBCHEK1JAK2JAK3MCHR1
SCHEMBL1926920 0.89 IKBKB (0.50) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1928049 0.86 IKBKB (0.49) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1929412 0.85 CHEK1 (0.51) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1927981 0.84 IKBKB (0.54) IKBKBCHEK1JAK2JAK3KDM4E
SCHEMBL1929905 0.84 IKBKB (0.47) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1929238 0.82 IKBKB (0.48) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1928260 0.81 IKBKB (0.56) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL1928013 0.79 IKBKB (0.46) IKBKBCHEK1JAK2JAK3MEN1
SCHEMBL10371219 0.79 KCNH2 (0.64) MCHR1OPRK1BCHEKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 MORLEY ANDREW DAVID 2009-08-27 US disclosed
US-7553868-B2 Thiophene carboxamides as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-06-30 US disclosed
EP-1583756-B9 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2008-01-09 EP disclosed
EP-1583756-B1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1583756-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063185-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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 (2 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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 RELA, NFKBIA, CSNK1E IKBKB 7/4885CHEK1 741/4885JAK2 159/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK IKBKB 5/4885CHEK1 754/4885JAK2 225/4885

“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.