SCHEMBL3614907

SCHEMBL3614907

COCCN(Cc1ccc(-c2cc(NC(N)=O)c(C(N)=O)s2)cc1)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.54
IKBKB O14920 11/20 0.52
CHEK1 O14757 7/20 0.42
CDK2AP1 O14519 1/20 0.41
TSHR P16473 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
SCHEMBL3611804 0.85 MAP3K7 (0.60) MAP3K7IKBKBCHEK1
SCHEMBL3608243 0.85 IKBKB (0.55) MAP3K7IKBKBCHEK1
SCHEMBL3615111 0.82 CHEK1 (0.52) MAP3K7IKBKBCHEK1TSHR
SCHEMBL3612207 0.81 MAP3K7 (0.62) MAP3K7IKBKBCHEK1
SCHEMBL3616330 0.79 MAP3K7 (0.59) MAP3K7IKBKBCHEK1
SCHEMBL3983797 0.78 MAP3K7 (0.54) MAP3K7IKBKBCHEK1
SCHEMBL3615407 0.77 IKBKB (0.64) MAP3K7IKBKBCHEK1
SCHEMBL3608241 0.75 IKBKB (0.55) MAP3K7IKBKBCHEK1
SCHEMBL3612513 0.75 CHEK1 (0.69) IKBKBCHEK1
SCHEMBL3617569 0.74 IKBKB (0.59) MAP3K7IKBKBCHEK1

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 MAP3K7 129/4885IKBKB 5/4885CHEK1 487/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE MAP3K7 129/4885IKBKB 5/4885CHEK1 487/4885

“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.