SCHEMBL16610905

SCHEMBL16610905

NS(=O)(=O)c1ccc(-c2cn(C3CCOCC3)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
JAK2 O60674 11/20 0.38
JAK1 P23458 11/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
LCK P06239 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
TEK Q02763 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
PTGS2 P35354 1/20 0.35
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33

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
SCHEMBL16610867 0.94 CA12 (0.38) CA12CA1CA2CA9JAK2
SCHEMBL16611244 0.90 JAK2 (0.43) CA12CA1CA2CA9JAK2
SCHEMBL16611565 0.88 CA1 (0.39) CA12CA1CA2CA9JAK2
SCHEMBL16611563 0.88 CA1 (0.39) CA12CA1CA2CA9JAK2
SCHEMBL16611817 0.88 CA1 (0.39) CA12CA1CA2CA9JAK2
SCHEMBL16726643 0.84 GSK3B (0.40) JAK2JAK1GSK3BDYRK1ALCK
SCHEMBL16623519 0.84 GSK3B (0.38) JAK2JAK1GSK3BDYRK1ALCK
SCHEMBL16610986 0.80 JAK2 (0.43) CA12CA1CA2CA9JAK2
SCHEMBL16610987 0.80 JAK2 (0.43) CA12CA1CA2CA9JAK2
SCHEMBL16610984 0.80 JAK2 (0.43) CA12CA1CA2CA9JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA12 2039/4885CA1 2704/4885CA2 1618/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA12 2039/4885CA1 2704/4885CA2 1618/4885

“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.