SCHEMBL16611410

SCHEMBL16611410

CCNC(=O)n1cc(-c2nn(-c3c(F)cccc3F)c3c(Cl)cnc(OC)c23)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 4/20 0.36
KCNJ3 P48549 4/20 0.36
MAPK8 P45983 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SCN9A Q15858 2/20 0.32
POLB P06746 1/20 0.32
BRAF P15056 3/20 0.31
MAP3K20 Q9NYL2 3/20 0.31
MET P08581 1/20 0.31
GRM2 Q14416 1/20 0.31
PAK1 Q13153 1/20 0.31
NTRK1 P04629 1/20 0.30
GNRHR P30968 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL16610761 0.83 MAPK8 (0.34) KCNJ5KCNJ3MAPK8ALDH1A1POLB
SCHEMBL16611192 0.79 KCNJ5 (0.39) KCNJ5KCNJ3MAPK1ALDH1A1SCN9A
SCHEMBL16611334 0.78 RORC (0.46) KCNJ5KCNJ3SCN9A
SCHEMBL16611388 0.77 NPSR1 (0.40) KCNJ5KCNJ3SCN9AMETNTRK1
SCHEMBL16610793 0.77 RORC (0.40) KCNJ5KCNJ3SCN9ABRAFNTRK1
SCHEMBL16611463 0.76 KCNJ5 (0.37) KCNJ5KCNJ3ROCK2ROCK1
SCHEMBL16611435 0.76 KCNJ5 (0.42) KCNJ5KCNJ3GRM2
SCHEMBL16611950 0.76 RORC (0.44) KCNJ5KCNJ3SCN9ANTRK1
SCHEMBL16611320 0.74 LRRK2 (0.50) MET
SCHEMBL16610870 0.74 KCNJ5 (0.41) KCNJ5KCNJ3MAPK1

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 2857/4885MAPK8 46/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KCNJ5 2242/4885KCNJ3 2857/4885MAPK8 46/4885

“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.