SCHEMBL16740156

SCHEMBL16740156

N#Cc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 5/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ GALR1 P47211 3/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CSNK1D P48730 2/20 0.32
▸ CSNK1G2 P78368 1/20 0.32
▸ BMI1 P35226 3/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 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
SCHEMBL16740387 0.89 TRPA1 (0.36) GALR2TRPA1GALR1CYP11B2SCN9A
SCHEMBL16740079 0.88 GALR2 (0.37) GALR2TRPA1GALR1CYP11B2ROCK1
SCHEMBL16740110 0.88 GALR2 (0.39) GALR2TRPA1GALR1CYP11B2ROCK1
SCHEMBL16740159 0.87 TRPA1 (0.39) GALR2TRPA1CYP11B2CYP11B1CSNK1D
SCHEMBL16740327 0.87 GALR2 (0.40) GALR2GALR1ROCK1CSNK1DBMI1
SCHEMBL16747910 0.85 GALR2 (0.35) GALR2TRPA1GALR1CYP11B2ROCK1
SCHEMBL16740324 0.84 CYP11B2 (0.41) GALR2TRPA1GALR1CYP11B2ROCK1
SCHEMBL18094384 0.84 ROCK1 (0.39) GALR2GALR1ROCK1SCN5ABMI1
SCHEMBL16740006 0.84 SCN5A (0.38) GALR2GALR1CYP11B2ROCK1SCN9A
SCHEMBL17938220 0.81 BMI1 (0.38) GALR2GALR1ROCK1SCN9ASCN5A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US claimed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 — — EP claimed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO claimed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 — — US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B GALR2 4615/4885TRPA1 4717/4885GALR1 4068/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B GALR2 4615/4885TRPA1 4717/4885GALR1 4068/4885

“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.

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