SCHEMBL6407476

SCHEMBL6407476

NC(=O)c1nnc(N)c2cc(-c3ccc(CN4CCOCC4)cc3)sc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.52
JAK1 P23458 7/20 0.52
TYK2 P29597 7/20 0.52
JAK3 P52333 6/20 0.52
PDK1 Q15118 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
PARP1 P09874 2/20 0.44
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GRM2 Q14416 1/20 0.43
CHEK1 O14757 1/20 0.42
TNIK Q9UKE5 1/20 0.42

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
SCHEMBL6068484 0.92 JAK2 (0.47) JAK2JAK1TYK2JAK3PARP1
SCHEMBL5458391 0.83 JAK2 (0.75) JAK2JAK1TYK2JAK3PARP1
SCHEMBL1926925 0.76 IKBKB (0.56) JAK2PDK1TBK1PARP1HRH3
SCHEMBL3510941 0.76 CHEK1 (0.56) JAK2JAK1TYK2JAK3PDK1
SCHEMBL5237983 0.76 IKBKB (0.51) JAK2JAK1TYK2JAK3TBK1
SCHEMBL6401995 0.75 JAK2 (0.51) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL29012217 0.71 CHEK1 (0.42) JAK2GRM2CHEK1
SCHEMBL1928109 0.71 CHEK1 (0.80) JAK2JAK3KCNH2CHEK1
SCHEMBL1928700 0.71 MAP3K7 (0.70) TBK1PARP1HRH3CHEK1
SCHEMBL12832077 0.71 MAP4K4 (0.44) JAK2JAK1TYK2JAK3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272730-A1 Thienopyridazines as IKK inhibitors ROCHE PALO ALTO LLC 2005-12-08 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-20050272730-A1 Thienopyridazines as IKK inhibitors IKBKE, IKBKB, NFKBIA JAK2 77/4885JAK1 37/4885TYK2 272/4885

“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.