SCHEMBL16748013

SCHEMBL16748013

N#Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.40
▸ CYP11B2 P19099 5/20 0.39
▸ CYP11B1 P15538 4/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL21785832 0.99 SCN9A (0.39) SCN9ACYP11B2CYP11B1TRPA1CSNK1D
SCHEMBL16740335 0.91 KCNH2 (0.39) SCN9ACYP11B2CYP11B1BRAFKCNH2
SCHEMBL16740229 0.88 KCNH2 (0.42) SCN9ACYP11B2CYP11B1BRAFKCNH2
SCHEMBL16740105 0.87 GAA (0.39) SCN9ACYP11B2CYP11B1BRAFKCNH2
SCHEMBL16740193 0.87 CYP11B1 (0.40) SCN9ACYP11B2CYP11B1BRAFKCNH2
SCHEMBL16747931 0.87 SCN9A (0.44) SCN9ACSNK1DCSNK1G2BRAFKCNH2
SCHEMBL16739557 0.87 CDK2 (0.39) SCN9ACYP11B2CYP11B1BRAFKCNH2
SCHEMBL16739647 0.85 SCN9A (0.40) SCN9ACSNK1DCSNK1EABCG2ABCB1
SCHEMBL16740205 0.84 CYP11B1 (0.42) SCN9ACYP11B2CYP11B1BRAFKCNH2
SCHEMBL16740250 0.84 SCN5A (0.47) SCN9ACYP11B2CYP11B1BRAFKCNH2

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 6 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
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO 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 SCN9A 4295/4885CYP11B2 4388/4885CYP11B1 3753/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B SCN9A 4295/4885CYP11B2 4388/4885CYP11B1 3753/4885

“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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