SCHEMBL5210487

SCHEMBL5210487

NC(=O)Nc1sc(-c2ccc3sc(CN4CCOCC4)cc3c2)cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.57
JAK2 O60674 4/20 0.51
JAK3 P52333 2/20 0.51
KCNH2 Q12809 2/20 0.51
IKBKB O14920 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
EIF2AK2 P19525 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL5243288 0.86 CHEK1 (0.41) CHEK1JAK2JAK3KCNH2MCHR1
SCHEMBL1928109 0.84 CHEK1 (0.80) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1926830 0.82 CHEK1 (0.61) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1928063 0.82 CHEK1 (0.58) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1928891 0.81 CHEK1 (0.66) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1926780 0.80 CHEK1 (0.81) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1928801 0.80 CHEK1 (0.59) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1928316 0.78 CHEK1 (0.59) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL1929415 0.77 CHEK1 (0.53) CHEK1JAK2JAK3KCNH2IKBKB
SCHEMBL6437042 0.76 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP claimed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US claimed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US claimed
EP-1421079-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010163-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO claimed
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US disclosed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US 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 (1 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-20040235821-A1 Novel compounds ABCG2, UGT1A1, SULT1E1 CHEK1 3580/4885JAK2 378/4885JAK3 656/4885

“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.