SCHEMBL16739966

SCHEMBL16739966

COc1c(F)cc(Nc2cc(C#N)cc(-c3c(C4CC4)nc4ccc(F)cn34)n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.39
▸ CYP11B1 P15538 6/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ BRAF P15056 2/20 0.33
▸ CYP19A1 P11511 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MCHR1 Q99705 5/20 0.31
▸ TNIK Q9UKE5 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL16740240 0.87 BRAF (0.36) CYP11B2CYP11B1TRPA1BRAFPIK3CD
SCHEMBL16740104 0.84 CYP11B2 (0.39) CYP11B2CYP11B1TRPA1CYP19A1MCHR1
SCHEMBL16740289 0.83 CYP11B2 (0.39) CYP11B2CYP11B1TRPA1CYP19A1CYP3A4
SCHEMBL16740111 0.82 CYP11B2 (0.40) CYP11B2CYP11B1TRPA1MCHR1
SCHEMBL16740106 0.82 MCHR1 (0.43) CYP11B2CYP11B1TRPA1MCHR1
SCHEMBL16740324 0.82 CYP11B2 (0.41) CYP11B2CYP11B1TRPA1CYP19A1MCHR1
SCHEMBL16740102 0.75 ACP1 (0.41) CYP11B2CYP11B1TRPA1
SCHEMBL16740161 0.74 KCNH2 (0.38) TRPA1BRAFTNIKKCNH2
SCHEMBL16740183 0.73 KDM4E (0.43) TRPA1PIK3CG
SCHEMBL16740389 0.72 ABCG2 (0.42) TRPA1PIK3CDPIK3R1PIK3CBPIK3CG

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 CYP11B2 4388/4885CYP11B1 3753/4885TRPA1 4717/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B CYP11B2 4388/4885CYP11B1 3753/4885TRPA1 4717/4885

“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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