SCHEMBL16610875

SCHEMBL16610875

NS(=O)(=O)c1ccc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.52
JAK1 P23458 15/20 0.52
PTGS2 P35354 1/20 0.41
PIK3CD O00329 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
MTOR P42345 2/20 0.40
PIK3CG P48736 2/20 0.40
EPHB4 P54760 2/20 0.40
PRKDC P78527 2/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
PI4KB Q9UBF8 1/20 0.39

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
SCHEMBL16610922 0.99 JAK2 (0.52) JAK2JAK1PTGS2PIK3CDABL1
SCHEMBL16610845 0.91 JAK2 (0.46) JAK2JAK1IKBKBCHUK
SCHEMBL16610972 0.91 JAK2 (0.46) JAK2JAK1IKBKBCHUK
SCHEMBL16610997 0.90 JAK2 (0.46) JAK2JAK1IKBKBCHUK
SCHEMBL16610839 0.89 JAK2 (0.45) JAK2JAK1
SCHEMBL16611058 0.88 JAK2 (0.44) JAK2JAK1IKBKBCHUK
SCHEMBL16610873 0.87 JAK2 (0.45) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16611025 0.87 JAK2 (0.43) JAK2JAK1EGFRIKBKBCHUK
SCHEMBL16611023 0.87 JAK2 (0.43) JAK2JAK1EGFRIKBKBCHUK
SCHEMBL16611015 0.86 JAK2 (0.44) JAK2JAK1

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 JAK2 1/4885JAK1 2/4885PTGS2 550/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885PTGS2 550/4885

“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.