SCHEMBL29607199

SCHEMBL29607199

CC(C)(C)OC(=O)N1CC[C@H](COc2cc(-c3ccc(O)cc3)cc3c2cnn3C2CCCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
JAK3 P52333 2/20 0.42
SCN9A Q15858 1/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
USP30 Q70CQ3 1/20 0.39
PIK3CD O00329 3/20 0.38
CHEK2 O96017 1/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
TGFBR1 P36897 1/20 0.38
PDE4B Q07343 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
SCHEMBL20711771 1.00 GPR119 (0.43) GPR119JAK3SCN9AALOX5APFEN1
SCHEMBL30161515 0.95 RXRA (0.41) GPR119JAK3SCN9AALOX5APFEN1
SCHEMBL20699398 0.95 RXRA (0.41) GPR119JAK3SCN9AALOX5APFEN1
SCHEMBL20699409 0.89 JAK3 (0.46) JAK3RXRARXRBRXRGPIK3CD
SCHEMBL29606472 0.87 GPR119 (0.41) GPR119JAK3SCN9AALOX5APFEN1
SCHEMBL28385240 0.87 GPR119 (0.41) GPR119JAK3SCN9AALOX5APFEN1
SCHEMBL20711699 0.87 IDO1 (0.46) GPR119SCN9AALOX5APFEN1USP30
SCHEMBL29606299 0.87 IDO1 (0.46) GPR119SCN9AALOX5APFEN1USP30
SCHEMBL28681149 0.87 GPR119 (0.43) GPR119SCN9AALOX5APFEN1RXRA
SCHEMBL20699344 0.85 GPR119 (0.42) GPR119RXRARXRBRXRGPIK3CA

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 GPR119 2019/4885JAK3 1/4885SCN9A 3164/4885

“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.