SCHEMBL16747867

SCHEMBL16747867

O=[N+]([O-])c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL18103431 0.90 KMT2A (0.35) MEN1KMT2AALOX12KIF11MAPT
SCHEMBL18100965 0.90 KMT2A (0.39) MEN1KMT2AALOX12KIF11MAPT
SCHEMBL16740120 0.86 PKM (0.43) MEN1KMT2AKIF11MAPTMAPK1
SCHEMBL16747921 0.84 AGPAT2 (0.38) ABCG2PIK3CAPIK3CBPIK3CGCYP11B1
SCHEMBL16739922 0.83 AGPAT2 (0.35) CYP11B1CYP11B2
SCHEMBL16740159 0.82 TRPA1 (0.39) ABCG2CYP11B1CYP11B2TRPV1
SCHEMBL16747868 0.80 KCNH3 (0.34) CYP11B1CYP11B2
SCHEMBL16747856 0.80 PKM (0.37) MEN1KMT2AMAPTABCG2CYP11B1
SCHEMBL16739598 0.80 ALDH1A1 (0.35) MEN1KMT2AMAPTTLR2TLR1
SCHEMBL16740229 0.79 KCNH2 (0.42) CYP11B1CYP11B2

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
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 MEN1 985/4885KMT2A 132/4885ALOX12 4097/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B MEN1 985/4885KMT2A 132/4885ALOX12 4097/4885

“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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