SCHEMBL16747831

SCHEMBL16747831

Cc1nc2cc(F)c(F)cc2n1-c1c[n+]([O-])cc(Nc2ccc(OC(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 10/20 0.52
GALR2 O43603 4/20 0.36
GALR1 P47211 2/20 0.36
ROCK1 Q13464 1/20 0.36
IDH1 O75874 3/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL16740277 0.87 BMI1 (0.64) BMI1GALR2ROCK1TUBB4ATUBB
SCHEMBL16740283 0.85 BMI1 (0.51) BMI1GALR2GALR1ROCK1IDH1
SCHEMBL16747851 0.84 BMI1 (0.53) BMI1GALR2GALR1ROCK1IDH1
SCHEMBL16740213 0.83 BMI1 (0.50) BMI1GALR2
SCHEMBL16747827 0.83 BMI1 (0.57) BMI1GALR2GALR1ROCK1IDH1
SCHEMBL16747909 0.83 BMI1 (0.52) BMI1GALR2GALR1ROCK1IDH1
SCHEMBL16740272 0.81 BMI1 (0.50) BMI1GALR2GALR1ROCK1IDH1
SCHEMBL16550151 0.80 BMI1 (0.49) BMI1GALR2ROCK1IDH1TUBB4A
SCHEMBL16550245 0.79 BMI1 (0.61) BMI1GALR2ROCK1IDH1TUBB4A
SCHEMBL15742668 0.78 BMI1 (0.55) BMI1GALR2GALR1ROCK1IDH1

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-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
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 BMI1 1/4885GALR2 4615/4885GALR1 4068/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B BMI1 1/4885GALR2 4615/4885GALR1 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.