SCHEMBL16610899

SCHEMBL16610899

COc1nccc2c1c(-c1ccc(C3CCN(C(C)=O)CC3(F)F)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.35
FFAR4 Q5NUL3 1/20 0.33
BTK Q06187 5/20 0.32
ALDH1A1 P00352 1/20 0.31
MAP4K1 Q92918 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
KCNK3 O14649 1/20 0.30
GRIA1 P42261 1/20 0.30
CACNG2 Q9Y698 1/20 0.30
PTGER1 P34995 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
SCHEMBL16611352 0.87 QDPR (0.38) FFAR4BTKALDH1A1KCNH2MAPK11
SCHEMBL16610871 0.83 RORC (0.38) RORCBTKALDH1A1KCNH2MAPK11
SCHEMBL16611684 0.76 RORC (0.43) RORCFFAR4PTGER1
SCHEMBL16611592 0.76 SLC6A2 (0.42) MAPK14
SCHEMBL16611818 0.75 ALDH1A1 (0.39) RORCALDH1A1MAPK11MAPK14PTGER1
SCHEMBL16611134 0.73 FFAR4 (0.36) RORCFFAR4BTKMAPK14PTGER1
SCHEMBL16610536 0.73 BRAF (0.39) ALDH1A1MAP4K1PTGER1
SCHEMBL16610686 0.73 MAPK1 (0.39) ALDH1A1KCNH2
SCHEMBL16611049 0.73 PTGS2 (0.43) ALDH1A1
SCHEMBL16610668 0.72 CKS1B (0.41) BTKALDH1A1GRIA1

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 RORC 538/4885FFAR4 2296/4885BTK 117/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885FFAR4 2296/4885BTK 117/4885

“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.