SCHEMBL17040899

SCHEMBL17040899

CC(C)(C)OC(=O)NC1CCc2cc(F)cc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.44
▸ SCN9A Q15858 10/20 0.42
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ EPAS1 Q99814 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL19961243 0.86 PDE4B (0.41) BDKRB1SCN9AGAANFKB1NFKB2
SCHEMBL31187806 0.81 GAA (0.45) BDKRB1SCN9AGAANFKB1NFKB2
SCHEMBL28714243 0.81 RIPK1 (0.52) SCN9AGAA
SCHEMBL22737131 0.81 RIPK1 (0.52) SCN9AGAA
SCHEMBL28718508 0.80 RIPK1 (0.53) SCN9A
SCHEMBL22737129 0.80 RIPK1 (0.41) BDKRB1SCN9AGAAPARP1EPHX2
SCHEMBL31730587 0.78 AAK1 (0.39) BDKRB1SCN9AGAANFKB1NFKB2
Acetic Acid SCHEMBL28780395 0.77 GAA (0.40) BDKRB1SCN9AGAANFKB1NFKB2
SCHEMBL19961240 0.75 CYP11B1 (0.41) GAANFKB1NFKB2RELAPARP1
SCHEMBL31730651 0.75 BDKRB1 (0.39) BDKRB1SCN9AGAANFKB1NFKB2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2023-01-03 — — US disclosed
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2023-01-03 — — US disclosed
US-20210371425-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2021-12-02 — — US disclosed
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-05-25 — — US disclosed
US-20200172545-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-04 — — US disclosed
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2018-03-15 — — US disclosed
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2018-03-15 — — US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 — — US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 — — US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 — — US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 — — US disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 — — 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 (6 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-20200172545-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, MAPKAPK5 BDKRB1 639/4885SCN9A 2339/4885GAA 942/4885
US-20180072741-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 BDKRB1 712/4885SCN9A 3400/4885GAA 768/4885
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, MAPKAPK5 BDKRB1 639/4885SCN9A 2339/4885GAA 942/4885
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 BDKRB1 3620/4885SCN9A 1872/4885GAA 1601/4885
US-11542265-B2 Pyrazolopyrimidine compounds and uses thereof PDXK, PCK1, PDK2 BDKRB1 712/4885SCN9A 3400/4885GAA 768/4885
US-20210371425-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF PDXK, PCK1, PDK2 BDKRB1 712/4885SCN9A 3400/4885GAA 768/4885

“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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