SCHEMBL4089013

SCHEMBL4089013

COc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 1.00
IKBKB O14920 5/20 0.70
JAK2 O60674 2/20 0.69
MEN1 O00255 1/20 0.69
EIF2AK2 P19525 1/20 0.69
KMT2A Q03164 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
JAK3 P52333 1/20 0.68

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 0.91 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL5898652 0.91 CHEK1 (0.83) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL7055920 0.88 CHEK1 (0.79) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL7058344 0.88 CHEK1 (0.79) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL7059163 0.88 CHEK1 (0.77) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL28782740 0.86 CHEK1 (0.76) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL7055110 0.85 IKBKB (0.74) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4209779 0.83 CHEK1 (0.77) CHEK1IKBKB
SCHEMBL4218805 0.83 CHEK1 (0.73) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4221790 0.83 CHEK1 (0.71) CHEK1IKBKB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT CHEK1 2784/4885IKBKB 3065/4885JAK2 79/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 CHEK1 3060/4885IKBKB 2413/4885JAK2 630/4885

“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.