SCHEMBL16747950

SCHEMBL16747950

Nc1cccc(F)c1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.54
SCN5A Q14524 5/20 0.54
KCNH2 Q12809 5/20 0.54
TDO2 P48775 1/20 0.39
AGPAT2 O15120 1/20 0.37
BMI1 P35226 2/20 0.36
DHODH Q02127 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
HDAC1 Q13547 1/20 0.36
PTGS1 P23219 1/20 0.36
BRAF P15056 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16747849 0.81 SCN5A (0.57) SCN9ASCN5AKCNH2TDO2AGPAT2
SCHEMBL16747947 0.80 KCNH2 (0.44) SCN9ASCN5AKCNH2ALDH1A1GAA
SCHEMBL16747859 0.79 SCN9A (0.55) SCN9ASCN5AKCNH2TDO2AGPAT2
SCHEMBL16739660 0.77 SCN9A (0.84) SCN9ASCN5AKCNH2TDO2AGPAT2
SCHEMBL16748025 0.75 SCN5A (0.54) SCN9ASCN5AKCNH2TDO2AGPAT2
SCHEMBL16747949 0.72 SCN5A (0.56) SCN9ASCN5AKCNH2AGPAT2BMI1
SCHEMBL16739547 0.71 CDK2 (0.63) SCN9ASCN5AKCNH2AGPAT2BMI1
SCHEMBL29420814 0.71 KCNH2 (0.58) SCN9ASCN5AKCNH2AGPAT2BMI1
SCHEMBL16748018 0.71 KCNH2 (0.52) SCN9ASCN5AKCNH2TDO2AGPAT2
SCHEMBL16740233 0.70 BMI1 (0.48) SCN9ASCN5AKCNH2AGPAT2BMI1

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 3 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 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 (1 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 4295/4885SCN5A 3115/4885KCNH2 3952/4885

“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.