SCHEMBL3617569

SCHEMBL3617569

N#CCCN(Cc1ccccc1)Cc1ccc(-c2cc(NC(N)=O)c(C(N)=O)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.59
MAP3K7 O43318 1/20 0.46
CHEK1 O14757 2/20 0.44
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPRA P18433 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
SCHEMBL3615407 0.88 IKBKB (0.64) IKBKBMAP3K7CHEK1JAK2JAK3
SCHEMBL3983414 0.87 CHEK1 (0.60) IKBKBCHEK1JAK2JAK3
SCHEMBL3619014 0.87 CHEK1 (0.57) IKBKBMAP3K7CHEK1
SCHEMBL3614444 0.82 IKBKB (0.68) IKBKBMAP3K7CHEK1JAK2JAK3
SCHEMBL1382301 0.76 IKBKB (1.00) IKBKBCHEK1JAK2JAK3PTPN1
SCHEMBL3611804 0.76 MAP3K7 (0.60) IKBKBMAP3K7CHEK1
SCHEMBL3610867 0.76 CHEK1 (0.73) IKBKBMAP3K7CHEK1
SCHEMBL3614907 0.74 MAP3K7 (0.54) IKBKBMAP3K7CHEK1
SCHEMBL3616418 0.74 CHEK1 (0.74) IKBKBCHEK1JAK2JAK3
SCHEMBL3618767 0.74 IKBKB (0.61) IKBKBMAP3K7CHEK1JAK2PTPN1

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 5 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
EP-1583755-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063186-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE IKBKB 5/4885MAP3K7 129/4885CHEK1 487/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE IKBKB 5/4885MAP3K7 129/4885CHEK1 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.