SCHEMBL3618364

SCHEMBL3618364

COc1cccc(CNCc2ccc(-c3cc(C(N)=O)c(NC(N)=O)s3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.84
IKBKB O14920 4/20 0.62
JAK2 O60674 2/20 0.56
JAK3 P52333 1/20 0.56
MEN1 O00255 1/20 0.54
EIF2AK2 P19525 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL3612027 0.92 CHEK1 (1.00) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL3616002 0.87 IKBKB (0.71) CHEK1IKBKBMEN1KMT2A
SCHEMBL3607430 0.84 CHEK1 (0.69) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL4206749 0.84 CHEK1 (0.65) CHEK1IKBKB
SCHEMBL7055920 0.84 CHEK1 (0.79) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL4089013 0.82 CHEK1 (1.00) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL3617795 0.82 CHEK1 (0.65) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL3614116 0.82 IKBKB (0.81) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL3621322 0.81 CHEK1 (0.74) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL7059163 0.80 CHEK1 (0.77) CHEK1IKBKBJAK2JAK3MEN1

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 5/4885JAK2 163/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE CHEK1 487/4885IKBKB 5/4885JAK2 163/4885

“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.