SCHEMBL16739616

SCHEMBL16739616

N#Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
SCN5A Q14524 3/20 0.49
KCNH2 Q12809 2/20 0.49
IDH1 O75874 6/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.40
BMI1 P35226 7/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL16740223 0.93 SCN9A (0.43) SCN9ASCN5AKCNH2IDH1MEN1
SCHEMBL16740241 0.87 BMI1 (0.52) SCN9ASCN5AKCNH2MEN1MAPT
SCHEMBL16739839 0.86 BMI1 (0.54) SCN9ASCN5AKCNH2IDH1BMI1
SCHEMBL16739749 0.85 BMI1 (0.53) SCN9ASCN5AKCNH2IDH1MEN1
SCHEMBL16747810 0.83 SCN5A (0.50) SCN9ASCN5AKCNH2IDH1MEN1
SCHEMBL16740093 0.82 SCN5A (0.49) SCN9ASCN5AKCNH2IDH1MEN1
SCHEMBL16740112 0.80 BMI1 (0.50) SCN9ASCN5AIDH1NPC1RAB9A
SCHEMBL16747892 0.77 BMI1 (0.54) SCN9ASCN5AKCNH2BMI1
SCHEMBL16740258 0.76 TUBB4A (0.46) IDH1BMI1
SCHEMBL16740257 0.75 KCNH2 (0.50) SCN9ASCN5AKCNH2IDH1BRAF

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 9 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 claimed
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
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO 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 4295/4885SCN5A 3115/4885KCNH2 3952/4885
US-10584115-B2 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.