SCHEMBL16610815

SCHEMBL16610815

NS(=O)(=O)c1ccc(-c2nn(-c3ccccc3C(F)(F)F)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.39
PTGS2 P35354 9/20 0.38
PTGS1 P23219 7/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KIF11 P52732 1/20 0.36
LDHA P00338 1/20 0.35
CYP2C9 P11712 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
SCHEMBL16611037 0.87 PTGS1 (0.44) PTGS2PTGS1JAK2JAK1IKBKB
SCHEMBL16726688 0.85 HCAR1 (0.33)
SCHEMBL18052617 0.85 ALDH1A1 (0.34)
SCHEMBL16611138 0.85 CA1 (0.47) PTGS2PTGS1JAK2JAK1IKBKB
SCHEMBL16611328 0.85 PTGS1 (0.43) PTGS2PTGS1JAK2JAK1IKBKB
SCHEMBL16610763 0.82 CA1 (0.44) PDPK1PTGS2PTGS1IKBKBCHUK
SCHEMBL16611040 0.79 PTGS1 (0.40) PTGS2PTGS1JAK2JAK1IKBKB
SCHEMBL16610934 0.76 CA1 (0.40) PTGS2PTGS1JAK2JAK1IKBKB
SCHEMBL16610690 0.74 CHUK (0.41) PTGS2PTGS1JAK2JAK1IKBKB
SCHEMBL16726689 0.71 PTGER1 (0.36) JAK2

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 PDPK1 986/4885PTGS2 550/4885PTGS1 442/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PDPK1 986/4885PTGS2 550/4885PTGS1 442/4885

“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.