SCHEMBL29607482

SCHEMBL29607482

CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(-c3ccc(O)c(Cl)c3)cc3c2cnn3C2CCCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.43
PIK3CA P42336 3/20 0.43
PIK3CG P48736 3/20 0.43
PIK3CB P42338 2/20 0.43
TBK1 Q9UHD2 2/20 0.40
PDE4B Q07343 1/20 0.40
KRAS P01116 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TOP2A P11388 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MTOR P42345 1/20 0.35
ATR Q13535 1/20 0.35
AURKB Q96GD4 1/20 0.35
CCNK O75909 1/20 0.35

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
SCHEMBL20711680 1.00 PIK3CD (0.43) PIK3CDPIK3CAPIK3CGPIK3CBTBK1
SCHEMBL30161519 1.00 PIK3CD (0.43) PIK3CDPIK3CAPIK3CGPIK3CBTBK1
SCHEMBL20699408 0.90 RXRA (0.41) PIK3CDPIK3CAPIK3CGPIK3CBRXRA
SCHEMBL29606524 0.87 PIK3CD (0.41) PIK3CDPIK3CAPIK3CGPIK3CBTBK1
SCHEMBL20711770 0.87 KRAS (0.39) PIK3CDPIK3CAPIK3CGPIK3CBPDE4B
SCHEMBL20711762 0.83 PDE4B (0.43) PIK3CDPIK3CAPIK3CGPIK3CBTBK1
SCHEMBL28385243 0.83 PDE4B (0.43) PIK3CDPIK3CAPIK3CGPIK3CBTBK1
SCHEMBL29607485 0.83 PDE4B (0.43) PIK3CDPIK3CAPIK3CGPIK3CBTBK1
SCHEMBL29003250 0.81 RXRA (0.37) KRASRXRARXRBRXRG
SCHEMBL29003233 0.80 RXRA (0.39) PDE4BKRASRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CD 207/4885PIK3CA 189/4885PIK3CG 220/4885

“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.