SCHEMBL20699326

SCHEMBL20699326

CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc([N+](=O)[O-])c3cnn(C4CCCCO4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.34
PREP P48147 3/20 0.34
EGFR P00533 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
POLB P06746 2/20 0.32
WNK1 Q9H4A3 2/20 0.32
CMKLR1 Q99788 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL30161733 1.00 RXRA (0.41) RXRARXRBRXRGTP53RXFP1
SCHEMBL30161656 0.85 RXRA (0.43) RXRARXRBRXRGPREPMCL1
SCHEMBL20699333 0.85 RXRA (0.43) RXRARXRBRXRGPREPMCL1
SCHEMBL20699373 0.76 RXRA (0.39) RXRARXRBRXRGEGFRCYP4F2
SCHEMBL30161705 0.76 RXRA (0.39) RXRARXRBRXRGEGFRCYP4F2
SCHEMBL24638393 0.76 RXRA (0.53) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20699341 0.74 RXRA (0.40) RXRARXRBRXRGPREPMCL1
SCHEMBL165273 0.73 RXRA (0.40) RXRARXRBRXRGMAPTCYP4F2
SCHEMBL20711701 0.73 RXRA (0.37) RXRARXRBRXRGATR
SCHEMBL29003240 0.72 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11

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.