SCHEMBL1928801

SCHEMBL1928801

NC(=O)Nc1sc(-c2ccc(CN3CCOCC3)nc2)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.59
JAK2 O60674 4/20 0.55
KCNH2 Q12809 2/20 0.55
JAK3 P52333 2/20 0.55
IKBKB O14920 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EIF2AK2 P19525 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1928109 0.85 CHEK1 (0.80) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL2925535 0.85 JAK2 (0.43) CHEK1JAK2KCNH2JAK3
SCHEMBL1926780 0.82 CHEK1 (0.81) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL1926830 0.81 CHEK1 (0.61) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL1928063 0.81 CHEK1 (0.58) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL1928891 0.81 CHEK1 (0.66) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL5210487 0.80 CHEK1 (0.57) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL3513949 0.80 JAK2 (0.74) CHEK1JAK2KCNH2JAK3
SCHEMBL1928316 0.80 CHEK1 (0.59) CHEK1JAK2KCNH2JAK3IKBKB
SCHEMBL6437042 0.79 CHEK1 (0.82) CHEK1JAK2JAK3IKBKBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
WO-2008002246-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN IKK2 INHIBITOR AND A SECOND ACTIVE INGRDIENT. ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885JAK2 166/4885KCNH2 1660/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 CHEK1 3264/4885JAK2 422/4885KCNH2 2527/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885JAK2 166/4885KCNH2 1660/4885

“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.