SCHEMBL20711700

SCHEMBL20711700

CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OC2CCCC(n3ncc4c(N)cc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5)cc43)O2)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 1/20 0.34
ATR Q13535 1/20 0.34
AURKB Q96GD4 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
USP30 Q70CQ3 5/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
LMNA P02545 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
RET P07949 2/20 0.32
CHEK2 O96017 2/20 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
SCHEMBL20711701 0.79 RXRA (0.37) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL29606697 0.79 RXRA (0.37) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL20699333 0.76 RXRA (0.43) ATRHDAC1HDAC2LMNA
SCHEMBL30161656 0.76 RXRA (0.43) ATRHDAC1HDAC2LMNA
SCHEMBL20699341 0.71 RXRA (0.40) USP30HDAC1HDAC2LMNA
SCHEMBL29608306 0.65 PIK3CD (0.40) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL20711775 0.65 PIK3CD (0.40) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL30161733 0.64 RXRA (0.41) ATR
SCHEMBL20699326 0.64 RXRA (0.41) ATR
SCHEMBL20711777 0.64 GPR119 (0.42) PIK3CAMTORPIK3CGATRAURKB

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 5 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-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 (5 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-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 PIK3CA 189/4885MTOR 108/4885PIK3CG 220/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 PIK3CA 189/4885MTOR 108/4885PIK3CG 220/4885
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 PIK3CA 189/4885MTOR 108/4885PIK3CG 220/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 PIK3CA 189/4885MTOR 108/4885PIK3CG 220/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 PIK3CA 189/4885MTOR 108/4885PIK3CG 220/4885

“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.