SCHEMBL29607485

SCHEMBL29607485

CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(Br)cc3c2cnn3C2CCCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
USP30 Q70CQ3 1/20 0.41
PIK3CD O00329 11/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL20711762 1.00 PDE4B (0.43) PDE4BIDO1TDO2USP30PIK3CD
SCHEMBL28385243 1.00 PDE4B (0.43) PDE4BIDO1TDO2USP30PIK3CD
SCHEMBL20699387 0.88 RXRA (0.39) PDE4BPIK3CDPDE4APDE4CPDE4D
SCHEMBL20711699 0.86 IDO1 (0.46) PDE4BIDO1TDO2USP30CCNK
SCHEMBL29606299 0.86 IDO1 (0.46) PDE4BIDO1TDO2USP30CCNK
SCHEMBL28387149 0.85 PDE4B (0.42) PDE4BIDO1TDO2USP30PIK3CD
SCHEMBL30161668 0.85 PDE4B (0.42) PDE4BIDO1TDO2USP30PIK3CD
SCHEMBL20699329 0.84 IDO1 (0.37) PDE4BIDO1TDO2USP30PIK3CA
SCHEMBL30161698 0.84 IDO1 (0.37) PDE4BIDO1TDO2USP30PIK3CA
SCHEMBL20711680 0.83 PIK3CD (0.43) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032646-B Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2023-01-03 CN disclosed
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-04-21 US 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 (1 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-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 PDE4B 1261/4885IDO1 566/4885TDO2 1694/4885

“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.