SCHEMBL16739922

SCHEMBL16739922

ONc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 1/20 0.35
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 4/20 0.34
▸ PKM P14618 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ BMI1 P35226 2/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ FADS1 O60427 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
SCHEMBL18103453 0.89 FADS1 (0.32) CYP11B1CYP11B2FADS1
SCHEMBL16747868 0.89 KCNH3 (0.34) AGPAT2CYP11B1CYP11B2PKMABL1
SCHEMBL18100967 0.89 AGPAT2 (0.39) AGPAT2CYP11B1CYP11B2DHODHBMI1
SCHEMBL16747921 0.87 AGPAT2 (0.38) AGPAT2CYP11B1CYP11B2PKMABL1
SCHEMBL16740159 0.85 TRPA1 (0.39) AGPAT2CYP11B1CYP11B2PKMABL1
SCHEMBL16747856 0.83 PKM (0.37) CYP11B1CYP11B2PKMDHODHBMI1
SCHEMBL16747867 0.83 MEN1 (0.36) CYP11B1CYP11B2
SCHEMBL16740229 0.82 KCNH2 (0.42) CYP11B1CYP11B2PKMABL1BCR
SCHEMBL16740278 0.80 PKM (0.33) CYP11B1CYP11B2PKMABL1BCR
SCHEMBL18100964 0.79 BMI1 (0.36) AGPAT2DHODHBMI1ALOX5EPHX2

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 8 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 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
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 AGPAT2 4306/4885CYP11B1 3753/4885CYP11B2 4388/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B AGPAT2 4306/4885CYP11B1 3753/4885CYP11B2 4388/4885

“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.

Send feedback