SCHEMBL20699337

SCHEMBL20699337

O=C(O)N1CC[C@H](S(=O)(=O)c2cc(-c3ccc(O)cc3)cc3c2cnn3C2CCCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GCK P35557 1/20 0.32
AKT1 P31749 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
MCL1 Q07820 1/20 0.32
ATR Q13535 7/20 0.31
KRAS P01116 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL29607050 0.89 GPR119 (0.42) RXRARXRBRXRGAKT1PIK3CA
SCHEMBL20711777 0.89 GPR119 (0.42) RXRARXRBRXRGAKT1PIK3CA
SCHEMBL20699316 0.80 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20699409 0.80 JAK3 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28380565 0.76 RXRA (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30161540 0.75 RXRA (0.49) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20699414 0.75 RXRA (0.49) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29608306 0.72 PIK3CD (0.40) RXRARXRBRXRGPIK3CAMTOR
SCHEMBL20711775 0.72 PIK3CD (0.40) RXRARXRBRXRGPIK3CAMTOR
SCHEMBL20711771 0.72 GPR119 (0.43) RXRARXRBRXRGPIK3CAGPR119

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 11 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
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-04-06 US disclosed
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-09 US disclosed
EP-3652169-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2020-05-20 EP disclosed
CN-111032646-A Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2020-04-17 CN disclosed
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-21 US disclosed
US-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 US disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
WO-2019027960-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 WO disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (7 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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 RXRA 3296/4885RXRB 3587/4885RXRG 3380/4885

“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.