SCHEMBL16611435

SCHEMBL16611435

COc1ncc(Cl)c2c1c(-c1cccc(O)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 10/20 0.42
KCNJ3 P48549 10/20 0.42
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
RAB9A P51151 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
FYN P06241 3/20 0.34
GAA P10253 1/20 0.32

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
SCHEMBL16610870 0.85 KCNJ5 (0.41) KCNJ5KCNJ3
SCHEMBL16611522 0.85 KCNJ5 (0.37) KCNJ5KCNJ3PIK3CDPIK3CBPIK3CG
SCHEMBL16611950 0.84 RORC (0.44) KCNJ5KCNJ3
SCHEMBL16611463 0.82 KCNJ5 (0.37) KCNJ5KCNJ3
SCHEMBL16611334 0.82 RORC (0.46) KCNJ5KCNJ3
SCHEMBL16611192 0.81 KCNJ5 (0.39) KCNJ5KCNJ3RAB9APIK3CDKDR
SCHEMBL16610793 0.80 RORC (0.40) KCNJ5KCNJ3PIK3CDMAPT
SCHEMBL16610791 0.78 KCNJ5 (0.36) KCNJ5KCNJ3RAB9AGAAMAPT
SCHEMBL16611719 0.77 KCNJ5 (0.35) KCNJ5KCNJ3PIK3CGGRM2
SCHEMBL16611410 0.76 KCNJ5 (0.36) KCNJ5KCNJ3GRM2

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 KCNJ5 2242/4885KCNJ3 2857/4885HSD17B1 2108/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KCNJ5 2242/4885KCNJ3 2857/4885HSD17B1 2108/4885

“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.