SCHEMBL3608241

SCHEMBL3608241

NC(=O)Nc1cc(-c2ccc(CNCCc3ccccn3)cc2)sc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.55
CHEK1 O14757 3/20 0.47
MAP3K7 O43318 1/20 0.46
ADRB2 P07550 2/20 0.42
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL3615108 0.94 IKBKB (0.53) IKBKBCHEK1MAP3K7ADRB2ALOX15
SCHEMBL3608050 0.87 CHEK1 (0.63) IKBKBCHEK1
SCHEMBL3615111 0.82 CHEK1 (0.52) IKBKBCHEK1MAP3K7KDM4E
SCHEMBL3608243 0.80 IKBKB (0.55) IKBKBCHEK1MAP3K7
SCHEMBL3610863 0.80 IKBKB (0.60) IKBKBCHEK1MAP3K7
SCHEMBL3607420 0.79 CHEK1 (0.74) IKBKBCHEK1MAP3K7
SCHEMBL3619297 0.78 IKBKB (0.50) IKBKBCHEK1MAP3K7
SCHEMBL3612210 0.77 CHEK1 (0.65) IKBKBCHEK1MAP3K7
SCHEMBL3612524 0.76 IKBKB (0.63) IKBKBCHEK1MAP3K7KDM4E
SCHEMBL3614907 0.75 MAP3K7 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SW) 2010-02-04 US disclosed
US-7572826-B2 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-03-16 US 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE IKBKB 5/4885CHEK1 487/4885MAP3K7 129/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE IKBKB 5/4885CHEK1 487/4885MAP3K7 129/4885

“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.