SCHEMBL16611192

SCHEMBL16611192

COC(=O)c1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)cnc(OC)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 2/20 0.39
KCNJ3 P48549 2/20 0.39
RORC P51449 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SCN9A Q15858 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
NPBWR1 P48145 1/20 0.36
TDO2 P48775 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RARG P13631 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL16611334 0.91 RORC (0.46) KCNJ5KCNJ3RORCSCN9ARARG
SCHEMBL16610793 0.91 RORC (0.40) KCNJ5KCNJ3RORCSCN9AMAPT
SCHEMBL16611950 0.83 RORC (0.44) KCNJ5KCNJ3RORCSCN9AKMT2A
SCHEMBL16611818 0.81 ALDH1A1 (0.39) RORCSMN1; SMN2ALDH1A1HPGDJAK1
SCHEMBL16611435 0.81 KCNJ5 (0.42) KCNJ5KCNJ3MAPTRAB9AKDR
SCHEMBL16611463 0.80 KCNJ5 (0.37) KCNJ5KCNJ3
SCHEMBL16610791 0.79 KCNJ5 (0.36) KCNJ5KCNJ3SMN1; SMN2ALDH1A1HPGD
SCHEMBL16611410 0.79 KCNJ5 (0.36) KCNJ5KCNJ3ALDH1A1SCN9AMAPK1
SCHEMBL16610870 0.77 KCNJ5 (0.41) KCNJ5KCNJ3MAPK1
SCHEMBL16610883 0.74 PTGS2 (0.33) SMN1; SMN2HTT

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 2857/4885RORC 538/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KCNJ5 2242/4885KCNJ3 2857/4885RORC 538/4885

“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.