SCHEMBL29606299

SCHEMBL29606299

CC(C)(C)OC(=O)N1CC[C@H](COc2cc(Br)cc3c2cnn3C2CCCCO2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
SCN9A Q15858 2/20 0.45
EPHA2 P29317 2/20 0.42
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
GPR119 Q8TDV5 2/20 0.40
USP30 Q70CQ3 2/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PDE4B Q07343 1/20 0.38
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 2/20 0.37
BRD3 Q15059 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
SCHEMBL20711699 1.00 IDO1 (0.46) IDO1TDO2SCN9AEPHA2ALOX5AP
SCHEMBL20699309 0.94 SCN9A (0.41) IDO1TDO2SCN9AEPHA2ALOX5AP
SCHEMBL30161443 0.94 SCN9A (0.41) IDO1TDO2SCN9AEPHA2ALOX5AP
SCHEMBL20699406 0.88 RXRA (0.39) IDO1TDO2
SCHEMBL22198743 0.88 IDO1 (0.48) IDO1TDO2SCN9AALOX5APFEN1
SCHEMBL29607199 0.87 GPR119 (0.43) SCN9AALOX5APFEN1GPR119USP30
SCHEMBL20711771 0.87 GPR119 (0.43) SCN9AALOX5APFEN1GPR119USP30
SCHEMBL28380561 0.86 SCN9A (0.43) IDO1TDO2SCN9AEPHA2ALOX5AP
SCHEMBL29606683 0.86 SCN9A (0.43) IDO1TDO2SCN9AEPHA2ALOX5AP
SCHEMBL20711762 0.86 PDE4B (0.43) IDO1TDO2USP30CCNKCDK12

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 IDO1 566/4885TDO2 1694/4885SCN9A 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.