SCHEMBL18094405

SCHEMBL18094405

OCc1nc2ccc(F)cn2c1-c1cccc(Nc2ccc(OC(F)F)c(F)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.34
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ P2RX3 P56373 8/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.31
▸ GALR2 O43603 1/20 0.31
▸ GALR1 P47211 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ABCC1 P33527 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ ITK Q08881 1/20 0.30

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
SCHEMBL18094380 0.87 ROCK1 (0.38) P2RX3SCN9AMAP3K5TRPA1GALR2
SCHEMBL16747901 0.86 P2RX3 (0.32) P2RX3TRPA1
SCHEMBL18094395 0.83 SCN9A (0.34) FLT3HSD17B14PDE4BSCN9AGALR2
SCHEMBL18094404 0.83 IDO1 (0.38) FLT3HSD17B14P2RX3MAP3K5TRPA1
SCHEMBL18094398 0.76 PDE4B (0.36) FLT3HSD17B14PDE4BP2RX3SCN9A
SCHEMBL16740266 0.75 BRAF (0.36) PDE4BP2RX3SCN9AABCB1ABCC1
SCHEMBL16747910 0.75 GALR2 (0.35) SCN9ATRPA1GALR2GALR1
SCHEMBL16747893 0.74 AGPAT2 (0.36) P2RX3GALR2GALR1ABCB1ABCC1
SCHEMBL18094409 0.74 PDE4B (0.36) FLT3HSD17B14PDE4BP2RX3SCN9A
SCHEMBL16740076 0.73 ABCG2 (0.34) P2RX3SCN9ATRPA1GALR2GALR1

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 FLT3 1643/4885HSD17B14 3671/4885PDE4B 3693/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B FLT3 1643/4885HSD17B14 3671/4885PDE4B 3693/4885

“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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