SCHEMBL1928805

SCHEMBL1928805

NC(=O)Nc1sc(-c2cccnc2CN2CCOCC2)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ CHEK1 O14757 8/20 0.50
▸ JAK3 P52333 2/20 0.46
▸ IKBKB O14920 4/20 0.45
▸ SYK P43405 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TNIK Q9UKE5 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
SCHEMBL1928801 0.78 CHEK1 (0.59) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL1928109 0.78 CHEK1 (0.80) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL1928891 0.77 CHEK1 (0.66) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL27544050 0.77 TNIK (0.44) JAK2KCNH2SYKKDM4EMAPT
SCHEMBL2772316 0.76 SYK (0.57) SYKKDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1928063 0.76 CHEK1 (0.58) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL1926780 0.74 CHEK1 (0.81) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL1926830 0.74 CHEK1 (0.61) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL5210487 0.73 CHEK1 (0.57) JAK2KCNH2CHEK1JAK3IKBKB
SCHEMBL1929584 0.73 CHEK1 (0.59) JAK2KCNH2CHEK1IKBKBMEN1

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 JAK2 166/4885KCNH2 1660/4885CHEK1 3163/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 JAK2 422/4885KCNH2 2527/4885CHEK1 3264/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 JAK2 166/4885KCNH2 1660/4885CHEK1 3163/4885

“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.

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