SCHEMBL16610871

SCHEMBL16610871

CC(=O)N1CCC(c2ccc(-c3nn(-c4c(F)cccc4F)c4cc[nH]c(=O)c34)cc2)C(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.38
KCNK3 O14649 4/20 0.33
ALDH1A1 P00352 1/20 0.32
BTK Q06187 2/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
PTGER1 P34995 1/20 0.31
CREBBP Q92793 1/20 0.31
ZAP70 P43403 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL16611141 0.87 ZAP70 (0.39) RORCKCNK3BTKROCK2ROCK1
SCHEMBL16610899 0.83 RORC (0.35) RORCKCNK3ALDH1A1BTKPTGER1
SCHEMBL16610679 0.80 GFER (0.37) KCNK3ALDH1A1PTGER1
SCHEMBL16611877 0.75 PRKAB2 (0.36) PTGER1ZAP70
SCHEMBL16623593 0.74 RORC (0.45) RORCPTGER1MAPK14
SCHEMBL16611046 0.74 PTGER1 (0.39) RORCROCK2ROCK1PTGER1MAPK14
SCHEMBL16611251 0.73 EED (0.39) RORCALDH1A1ROCK1
SCHEMBL16611425 0.73 MAP4K1 (0.39) RORCALDH1A1PTGER1
SCHEMBL16611853 0.73 MAPK1 (0.42) RORCALDH1A1PTGER1MAPK11MAPK14
SCHEMBL16611040 0.72 PTGS1 (0.40) PTGER1

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 10 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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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 RORC 538/4885KCNK3 3289/4885ALDH1A1 3511/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885KCNK3 3289/4885ALDH1A1 3511/4885

“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.