SCHEMBL16739728

SCHEMBL16739728

Cc1nc2ccc(F)cn2c1-c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ TRPA1 O75762 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
SCHEMBL16747881 0.81 MCHR1 (0.33) SOS1
SCHEMBL17943203 0.76 GABRA1 (0.34) MAP3K14GABRA1GABRB2
SCHEMBL16550056 0.74 MCHR1 (0.33) PIK3CDPIK3CAMTOR
SCHEMBL16747875 0.73 PIK3CD (0.46) CYP11B1CYP11B2PIK3CDPIK3R1MAP3K14
SCHEMBL1053992 0.72 HSP90AA1 (0.36) SOS1HSP90AA1HSP90AB1
SCHEMBL18100963 0.71 ALDH1A1 (0.38) CYP11B1CYP11B2PIK3CDPIK3R1MAP3K14
SCHEMBL16540931 0.70 PIK3CA (0.40) CYP11B1CYP11B2PIK3CDPIK3R1MAP3K14
SCHEMBL16540834 0.69 MAP3K14 (0.39) CYP11B1CYP11B2PIK3CDPIK3R1MAP3K14
SCHEMBL17223103 0.69 MCHR1 (0.35) PIK3CDPIK3CAMTOR
SCHEMBL16748021 0.68 CYP11B1 (0.43) CYP11B1CYP11B2PIK3CDPIK3R1MAP3K14

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
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 CYP11B1 3753/4885CYP11B2 4388/4885PIK3CD 2071/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B CYP11B1 3753/4885CYP11B2 4388/4885PIK3CD 2071/4885

“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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