SCHEMBL20711697

SCHEMBL20711697

Brc1cc(OCC2CNC2)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.44
CYP4A11 Q02928 5/20 0.44
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
ATR Q13535 4/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 1/20 0.32
TDO2 P48775 2/20 0.31
IDO1 P14902 1/20 0.31
SCN9A Q15858 1/20 0.31
PDE9A O76083 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
SCHEMBL20711761 0.83 RXRA (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20699406 0.82 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30483254 0.80 ATR (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL28588706 0.80 ATR (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20711872 0.80 RXRA (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30161443 0.80 SCN9A (0.41) RXRARXRBRXRGATRTDO2
SCHEMBL20699309 0.80 SCN9A (0.41) RXRARXRBRXRGATRTDO2
SCHEMBL20711798 0.79 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20711772 0.79 RXRA (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29470605 0.78 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG

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 7 patents. 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
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
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
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 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 CYP4F2 2191/4885CYP4A11 933/4885RXRA 3296/4885

“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.