SCHEMBL3607441

SCHEMBL3607441

CCN(CCOC)Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.66
IKBKB O14920 3/20 0.64
CDK2AP1 O14519 1/20 0.53
JAK2 O60674 2/20 0.53
MEN1 O00255 1/20 0.53
EIF2AK2 P19525 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
JAK3 P52333 1/20 0.52

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
SCHEMBL3612513 0.95 CHEK1 (0.69) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3620119 0.90 IKBKB (0.76) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3612921 0.89 CHEK1 (0.61) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3612120 0.88 CHEK1 (0.79) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3611804 0.86 MAP3K7 (0.60) CHEK1IKBKB
SCHEMBL4087425 0.82 CHEK1 (0.80) CHEK1IKBKBCDK2AP1JAK2MEN1
SCHEMBL3615310 0.82 CHEK1 (0.80) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3606231 0.81 CHEK1 (0.77) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL7056889 0.79 IKBKB (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3616418 0.78 CHEK1 (0.74) CHEK1IKBKBJAK2MEN1EIF2AK2

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 CHEK1 487/4885IKBKB 5/4885CDK2AP1 111/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE CHEK1 487/4885IKBKB 5/4885CDK2AP1 111/4885

“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.