SCHEMBL16739828

SCHEMBL16739828

O=c1[nH]c2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ BMI1 P35226 6/20 0.43
▸ AURKA O14965 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ GABRP O00591 3/20 0.37
▸ GABRD O14764 3/20 0.37
▸ GABRA1 P14867 3/20 0.37
▸ GABRB1 P18505 3/20 0.37
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ GABRB2 P47870 3/20 0.37

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
SCHEMBL16747895 0.77 BMI1 (0.55) KCNH2SCN5ASCN9ABMI1KDM4E
SCHEMBL16739649 0.76 BMI1 (0.54) KCNH2SCN5ASCN9ABMI1MEN1
SCHEMBL16740311 0.76 BMI1 (0.54) KCNH2SCN5ASCN9ABMI1MEN1
SCHEMBL16739962 0.76 BMI1 (0.49) KCNH2SCN5ASCN9ABMI1
SCHEMBL16739912 0.76 BMI1 (0.69) KCNH2SCN5ASCN9ABMI1
SCHEMBL16748010 0.75 BMI1 (0.53) KCNH2SCN5ASCN9ABMI1MTOR
SCHEMBL16740199 0.74 BMI1 (0.55) KCNH2SCN5ASCN9ABMI1MAPT
SCHEMBL16739942 0.74 BMI1 (0.52) KCNH2SCN5ASCN9ABMI1CYP1A2
SCHEMBL16740241 0.74 BMI1 (0.52) KCNH2SCN5ASCN9ABMI1MEN1
SCHEMBL16740094 0.74 BMI1 (0.59) KCNH2SCN5ASCN9ABMI1

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 4 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
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

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 HSP90AA1 1363/4885KCNH2 3952/4885SCN5A 3115/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B HSP90AA1 1363/4885KCNH2 3952/4885SCN5A 3115/4885

“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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