SCHEMBL16611380

SCHEMBL16611380

COc1ncc(Br)c2c1c(-c1ccc(CC(=O)NC3CC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.37
GRIN1 Q05586 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
MAPK14 Q16539 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.35
BTK Q06187 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HPGD P15428 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
SCHEMBL16610710 0.90 LMNA (0.33) MAPTKMT2AEGFRBTK
SCHEMBL16610883 0.87 PTGS2 (0.33) EGFRBTK
SCHEMBL16610733 0.81 ROCK2 (0.42) SIGMAR1MEN1ALDH1A1KMT2AROCK2
SCHEMBL16610719 0.79 PIK3CG (0.36) EGFR
SCHEMBL16610666 0.72 PIK3CG (0.40) EGFR
SCHEMBL16611192 0.71 KCNJ5 (0.39) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL16610793 0.70 RORC (0.40) MAPK14MAPT
SCHEMBL16610791 0.65 KCNJ5 (0.36) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL16611410 0.65 KCNJ5 (0.36) ALDH1A1ROCK2ROCK1
SCHEMBL16611818 0.64 ALDH1A1 (0.39) MAPK14MAPTMEN1ALDH1A1KMT2A

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 GRIN2B 4439/4885GRIN1 4272/4885SIGMAR1 4698/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 GRIN2B 4439/4885GRIN1 4272/4885SIGMAR1 4698/4885

“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.