SCHEMBL16747868

SCHEMBL16747868

OCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ MPL P40238 1/20 0.33
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ BMI1 P35226 1/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ BCR P11274 2/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ AGPAT2 O15120 1/20 0.32
▸ FADS1 O60427 2/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL18100964 0.90 BMI1 (0.36) KCNH3ALOX5EPHX2BMI1GPR139
SCHEMBL16739922 0.89 AGPAT2 (0.35) ALOX5EPHX2CYP11B1CYP11B2BMI1
SCHEMBL16740288 0.87 PKM (0.43) MPLPKM
SCHEMBL16747921 0.84 AGPAT2 (0.38) ALOX5EPHX2CYP11B1CYP11B2BMI1
SCHEMBL16747856 0.83 PKM (0.37) CYP11B1CYP11B2BMI1GPR139PKM
SCHEMBL16740159 0.83 TRPA1 (0.39) CYP11B1CYP11B2BMI1ABL1BCR
SCHEMBL18103453 0.81 FADS1 (0.32) CYP11B1CYP11B2FADS1
SCHEMBL16747867 0.80 MEN1 (0.36) CYP11B1CYP11B2
SCHEMBL16740229 0.80 KCNH2 (0.42) CYP11B1CYP11B2BMI1ABL1BCR
SCHEMBL18100967 0.79 AGPAT2 (0.39) CYP11B1CYP11B2BMI1GPR139AGPAT2

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 5 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
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 KCNH3 3899/4885ALOX5 4477/4885EPHX2 3845/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B KCNH3 3899/4885ALOX5 4477/4885EPHX2 3845/4885

“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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