SCHEMBL18094398

SCHEMBL18094398

Cc1nc2c(F)cc(F)cn2c1-c1cccc(Nc2ccc(OC(F)F)c(F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ GALR2 O43603 3/20 0.32
▸ GALR1 P47211 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ P2RX7 Q99572 3/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL16747941 0.86 ABCG2 (0.33) SCN9AABCG2ABCB1ABCC1P2RX3
SCHEMBL18094409 0.86 PDE4B (0.36) PDE4BSCN9AABCG2ABCB1ABCC1
SCHEMBL18094405 0.76 FLT3 (0.34) PDE4BSCN9AABCG2ABCB1ABCC1
SCHEMBL16740005 0.76 BMI1 (0.40) SCN9AGALR2GALR1
SCHEMBL16740266 0.76 BRAF (0.36) PDE4BSCN9AABCG2ABCB1ABCC1
SCHEMBL18094395 0.76 SCN9A (0.34) PDE4BSCN9AHSD17B14FLT3GALR2
SCHEMBL16740076 0.76 ABCG2 (0.34) SCN9AABCG2ABCB1ABCC1P2RX3
SCHEMBL16747893 0.75 AGPAT2 (0.36) ABCG2ABCB1ABCC1P2RX3GALR2
SCHEMBL16747938 0.75 GALR2 (0.37) SCN9AABCG2GALR2GALR1P2RX7
SCHEMBL16747940 0.74 P2RX3 (0.34) ABCG2ABCB1ABCC1P2RX3

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 PDE4B 3693/4885SCN9A 4295/4885ABCG2 4475/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B PDE4B 3693/4885SCN9A 4295/4885ABCG2 4475/4885

“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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