SCHEMBL18094380

SCHEMBL18094380

OCc1nc2ccc(F)cn2c1-c1cccc(Nc2ccc(OC(F)F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.38
▸ GALR2 O43603 5/20 0.36
▸ BMI1 P35226 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ GALR1 P47211 3/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.31
▸ BCDIN3D Q7Z5W3 1/20 0.31

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
SCHEMBL18094405 0.87 FLT3 (0.34) GALR2GALR1SCN9AP2RX3TRPA1
SCHEMBL16747910 0.85 GALR2 (0.35) ROCK1GALR2BMI1MEN1ALDH1A1
SCHEMBL18094384 0.84 ROCK1 (0.39) ROCK1GALR2BMI1MEN1ALDH1A1
SCHEMBL18094404 0.79 IDO1 (0.38) MEN1KMT2AP2RX3TRPA1MAP3K5
SCHEMBL16740019 0.76 ACP1 (0.41) GALR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL16747979 0.76 BMI1 (0.40) ROCK1GALR2BMI1MEN1ALDH1A1
SCHEMBL16740351 0.76 GALR2 (0.40) ROCK1GALR2BMI1ALDH1A1MAPT
SCHEMBL16747901 0.74 P2RX3 (0.32) P2RX3TRPA1
SCHEMBL16747840 0.73 BMI1 (0.41) ROCK1GALR2BMI1GALR1GSK3A
SCHEMBL16740129 0.73 SCN5A (0.39) ROCK1GALR2BMI1GALR1GSK3A

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

“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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