SCHEMBL18094393

SCHEMBL18094393

O=[N+]([O-])c1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.39
▸ GALR2 O43603 2/20 0.38
▸ KMT2A Q03164 9/20 0.37
▸ MEN1 O00255 8/20 0.37
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH3A1 P30838 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BMI1 P35226 1/20 0.33
▸ GALR1 P47211 1/20 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

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
SCHEMBL16740220 0.90 PKM (0.40) PKMGALR2KMT2AMEN1MAPT
SCHEMBL16740120 0.88 PKM (0.43) PKMKMT2AMEN1MAPTNPC1
SCHEMBL16740301 0.85 TUBB4A (0.44) GALR2KMT2AMEN1MAPTRAB9A
SCHEMBL16747822 0.85 GALR2 (0.41) PKMGALR2KMT2AMEN1MAPT
SCHEMBL16747821 0.84 GALR2 (0.39) PKMGALR2KMT2AMEN1MAPT
SCHEMBL16740327 0.83 GALR2 (0.40) PKMGALR2ALDH1A1BMI1GALR1
SCHEMBL16740085 0.83 IRAK4 (0.43) PKMGALR2KMT2AMEN1MAPT
SCHEMBL16747824 0.82 GALR2 (0.39) PKMGALR2KMT2AMEN1MAPT
SCHEMBL16740299 0.81 BMI1 (0.40) PKMGALR2KMT2AMEN1MAPT
SCHEMBL16747825 0.80 GALR2 (0.37) GALR2MAPTNPC1RAB9APOLB

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US 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

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 PKM 4004/4885GALR2 4615/4885KMT2A 132/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B PKM 4004/4885GALR2 4615/4885KMT2A 132/4885

“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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