SCHEMBL16747822

SCHEMBL16747822

Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 4/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ GALR1 P47211 3/20 0.36
▸ BMI1 P35226 3/20 0.35
▸ TUBB4A P04350 4/20 0.35
▸ TUBB P07437 4/20 0.35
▸ TUBA3C P0DPH7 4/20 0.35
▸ TUBA1B P68363 4/20 0.35
▸ TUBA4A P68366 4/20 0.35
▸ TUBB4B P68371 4/20 0.35
▸ TUBB3 Q13509 4/20 0.35
▸ TUBB2A Q13885 4/20 0.35
▸ TUBB8 Q3ZCM7 4/20 0.35
▸ TUBA3E Q6PEY2 4/20 0.35
▸ TUBA1A Q71U36 4/20 0.35
▸ TUBA1C Q9BQE3 4/20 0.35
▸ TUBB6 Q9BUF5 4/20 0.35
▸ TUBB2B Q9BVA1 4/20 0.35
▸ TUBB1 Q9H4B7 4/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL16740301 0.89 TUBB4A (0.44) GALR2GALR1BMI1TUBB4ATUBB
SCHEMBL16747898 0.89 ABL1 (0.42) GALR2GALR1TUBB4ATUBBTUBA3C
SCHEMBL16740327 0.87 GALR2 (0.40) GALR2ROCK1GALR1BMI1TUBB4A
SCHEMBL16740085 0.87 IRAK4 (0.43) GALR2ROCK1GALR1BMI1TUBB4A
SCHEMBL16747821 0.86 GALR2 (0.39) GALR2ROCK1GALR1BMI1TUBB4A
SCHEMBL16740334 0.86 PKM (0.47) PKMMEN1ALDH1A1MAPTKMT2A
SCHEMBL16747824 0.86 GALR2 (0.39) GALR2ROCK1GALR1BMI1TUBB4A
SCHEMBL15742598 0.85 GALR2 (0.41) GALR2ROCK1GALR1BMI1TUBB4A
SCHEMBL18094393 0.85 PKM (0.39) GALR2ROCK1GALR1BMI1TUBB4A
SCHEMBL16740299 0.85 BMI1 (0.40) GALR2ROCK1BMI1TUBB4ATUBB

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 5 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
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 4615/4885ROCK1 2769/4885GALR1 4068/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B GALR2 4615/4885ROCK1 2769/4885GALR1 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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