SCHEMBL18094384

SCHEMBL18094384

Fc1ccc2nc(C(F)(F)F)c(-c3cccc(Nc4ccc(OC(F)F)cc4)n3)n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.39
▸ GALR2 O43603 5/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ BMI1 P35226 3/20 0.35
▸ GALR1 P47211 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TEAD4 Q15561 1/20 0.32

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
SCHEMBL16740351 0.90 GALR2 (0.40) ROCK1GALR2SCN5ABMI1GALR1
SCHEMBL16740006 0.88 SCN5A (0.38) ROCK1GALR2SCN5ABMI1GALR1
SCHEMBL16740085 0.86 IRAK4 (0.43) ROCK1GALR2BMI1GALR1MAPT
SCHEMBL16747856 0.86 PKM (0.37) BMI1MAPTTP53GAAMEN1
SCHEMBL16740156 0.84 GALR2 (0.36) ROCK1GALR2SCN5ABMI1GALR1
SCHEMBL15742398 0.84 ROCK1 (0.47) ROCK1GALR2SCN5ABMI1GALR1
SCHEMBL18094380 0.84 ROCK1 (0.38) ROCK1GALR2BMI1GALR1MAPT
SCHEMBL16740318 0.82 ROCK1 (0.40) ROCK1GALR2BMI1MAPTGAA
SCHEMBL17938220 0.81 BMI1 (0.38) ROCK1GALR2SCN5ABMI1GALR1
SCHEMBL16747967 0.81 MAPT (0.42) GALR2MAPTTP53GAAMEN1

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 2 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

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 ROCK1 2769/4885GALR2 4615/4885SCN5A 3115/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ROCK1 2769/4885GALR2 4615/4885SCN5A 3115/4885

“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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