SCHEMBL16611463

SCHEMBL16611463

COc1ncc(Cl)c2c1c(-c1cn[nH]c1)nn2-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
ROCK2 O75116 17/20 0.36
ROCK1 Q13464 5/20 0.35
CCR4 P51679 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
SCHEMBL16610976 0.88 ROCK2 (0.36) ROCK2ROCK1
SCHEMBL16611435 0.82 KCNJ5 (0.42) KCNJ5KCNJ3
SCHEMBL16611334 0.81 RORC (0.46) KCNJ5KCNJ3
SCHEMBL16611192 0.80 KCNJ5 (0.39) KCNJ5KCNJ3
SCHEMBL16610736 0.79 ROCK2 (0.39) KCNJ5KCNJ3ROCK2ROCK1
SCHEMBL16610793 0.79 RORC (0.40) KCNJ5KCNJ3
SCHEMBL16611950 0.79 RORC (0.44) KCNJ5KCNJ3
SCHEMBL16610791 0.79 KCNJ5 (0.36) KCNJ5KCNJ3
SCHEMBL16610870 0.79 KCNJ5 (0.41) KCNJ5KCNJ3
SCHEMBL16611522 0.78 KCNJ5 (0.37) KCNJ5KCNJ3

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 2857/4885ROCK2 580/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KCNJ5 2242/4885KCNJ3 2857/4885ROCK2 580/4885

“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.