SCHEMBL546539

SCHEMBL546539

CC(C)(C)OC(=O)n1cccc1-c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
TNK2 Q07912 1/20 0.42
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
MAP2K4 P45985 1/20 0.37
TACR1 P25103 8/20 0.35
NR1H2 P55055 2/20 0.34
BUB1 O43683 1/20 0.34
MAPT P10636 1/20 0.34
STS P08842 1/20 0.34
ATR Q13535 1/20 0.33
BCHE P06276 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL25594955 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL978142 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL23303573 0.81 HSP90AA1 (0.51) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL17673749 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL31226651 0.78 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL24566138 0.76 HSP90AA1 (0.50) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL12450000 0.75 HSP90AA1 (0.52) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL13624112 0.74 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL15417083 0.74 HSP90AA1 (0.52) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1
SCHEMBL2646020 0.73 HSP90AA1 (0.52) HSP90AA1HSP90AB1TNK2PIK3CAPIK3R1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
CN-101365682-A Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARM INC (US) 2009-02-11 CN disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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 (2 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B HSP90AA1 1131/4885HSP90AB1 796/4885TNK2 1466/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 HSP90AA1 2152/4885HSP90AB1 1834/4885TNK2 60/4885

“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.