SCHEMBL16610934

SCHEMBL16610934

Nc1cc(F)c(-n2nc(-c3ccc(S(N)(=O)=O)cc3)c3c(=O)[nH]ccc32)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
PTGS1 P23219 7/20 0.37
PTGS2 P35354 9/20 0.36
MAP2K7 O14733 1/20 0.36
MAP2K4 P45985 1/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL16611040 0.89 PTGS1 (0.40) CA1CA2IKBKBCHUKJAK2
SCHEMBL16726712 0.86 JAK1 (0.32) JAK2JAK1
SCHEMBL18052631 0.84 JAK1 (0.32) JAK2JAK1
SCHEMBL16611037 0.82 PTGS1 (0.44) CA1CA2IKBKBCHUKJAK2
SCHEMBL16610763 0.79 CA1 (0.44) CA1CA2IKBKBCHUKPTGS1
SCHEMBL16610702 0.77 PTGS2 (0.42) CA1CA2PTGS1PTGS2PIK3CD
SCHEMBL16611328 0.76 PTGS1 (0.43) CA1CA2IKBKBCHUKJAK2
SCHEMBL16611138 0.76 CA1 (0.47) CA1CA2IKBKBCHUKJAK2
SCHEMBL16610815 0.76 PDPK1 (0.39) CA1CA2IKBKBCHUKJAK2
SCHEMBL16610690 0.73 CHUK (0.41) CA1CA2IKBKBCHUKJAK2

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 CA1 2704/4885CA2 1618/4885IKBKB 7/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA1 2704/4885CA2 1618/4885IKBKB 7/4885

“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.