SCHEMBL16739729

SCHEMBL16739729

CCn1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
BMI1 P35226 5/20 0.40
BRAF P15056 1/20 0.38
DHODH Q02127 1/20 0.38
CDK2 P24941 2/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
AGPAT2 O15120 1/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
BRD4 O60885 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL16747872 0.90 KCNH2 (0.42) KCNH2SCN5ASCN9ABMI1BRAF
SCHEMBL16747991 0.90 KCNH2 (0.42) KCNH2SCN5ASCN9ABMI1BRAF
SCHEMBL16739870 0.89 KCNH2 (0.41) KCNH2SCN5ASCN9ABMI1BRAF
SCHEMBL16740059 0.88 PTGDR2 (0.42) KCNH2SCN5ASCN9ABRAFABL1
SCHEMBL16740221 0.87 KCNH2 (0.42) KCNH2SCN5ASCN9ABMI1BRAF
SCHEMBL16739834 0.86 ABL1 (0.51) KCNH2SCN5ASCN9ABRAFABL1
SCHEMBL16739642 0.85 ABL1 (0.48) KCNH2SCN5ASCN9ABMI1BRAF
SCHEMBL16740224 0.84 NR3C1 (0.47) KCNH2SCN5ASCN9AGSK3BPTGDR2
SCHEMBL16747936 0.84 KCNH2 (0.41) KCNH2SCN5ASCN9ABMI1BRAF
SCHEMBL16740407 0.83 KCNH2 (0.37) KCNH2SCN5ASCN9ABMI1BRAF

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 10 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
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP claimed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO 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 KCNH2 3952/4885SCN5A 3115/4885SCN9A 4295/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B KCNH2 3952/4885SCN5A 3115/4885SCN9A 4295/4885

“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.