SCHEMBL16610867

SCHEMBL16610867

NS(=O)(=O)c1ccc(-c2cn(C3CCOC3)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LCK P06239 2/20 0.38
SRC P12931 1/20 0.38
TEK Q02763 1/20 0.38
JAK2 O60674 13/20 0.37
JAK1 P23458 13/20 0.37
FYN P06241 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
CDK8 P49336 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL16610905 0.94 CA12 (0.39) CA12CA1CA2CA9LCK
SCHEMBL16611244 0.86 JAK2 (0.43) CA12CA1CA2CA9SRC
SCHEMBL16623549 0.85 LCK (0.38) LCKSRCTEKJAK2JAK1
SCHEMBL18052582 0.84 LCK (0.38) LCKSRCTEKJAK2JAK1
SCHEMBL16611565 0.84 CA1 (0.39) CA12CA1CA2CA9SRC
SCHEMBL16611817 0.84 CA1 (0.39) CA12CA1CA2CA9SRC
SCHEMBL16611563 0.84 CA1 (0.39) CA12CA1CA2CA9SRC
SCHEMBL16610850 0.80 LCK (0.39) LCKSRCTEKJAK2JAK1
SCHEMBL16611015 0.80 JAK2 (0.44) JAK2JAK1
SCHEMBL16726643 0.78 GSK3B (0.40) LCKSRCTEKJAK2JAK1

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.