SCHEMBL20711698

SCHEMBL20711698

CC(C)(Oc1cc(-c2ccc(O)c(Cl)c2)cc2c1cnn2C1CCCCO1)C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
KMT2A Q03164 1/20 0.32
CMKLR1 Q99788 1/20 0.31
KRAS P01116 1/20 0.31
MELK Q14680 5/20 0.30
GCGR P47871 1/20 0.30
ATR Q13535 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL20711774 0.90 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20711770 0.87 KRAS (0.39) RXRARXRBRXRGKMT2AKRAS
SCHEMBL20711872 0.80 RXRA (0.34) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29003250 0.78 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20711768 0.78 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29003233 0.77 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29003235 0.77 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30161519 0.76 PIK3CD (0.43) RXRARXRBRXRGKRASATR
SCHEMBL20711680 0.76 PIK3CD (0.43) RXRARXRBRXRGKRASATR
SCHEMBL29607482 0.76 PIK3CD (0.43) RXRARXRBRXRGKRASATR

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 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.