SCHEMBL29545889

SCHEMBL29545889

CC(C)(C)OC(=O)n1cccc1-c1nc(Br)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
TNK2 Q07912 1/20 0.39
BCHE P06276 1/20 0.37
ATR Q13535 1/20 0.36
BUB1 O43683 1/20 0.35
HPGDS O60760 1/20 0.35
ACKR3 P25106 2/20 0.34
POLB P06746 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
GRM5 P41594 1/20 0.31
MET P08581 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GBA1 P04062 1/20 0.30
NR1H2 P55055 1/20 0.30
USP30 Q70CQ3 2/20 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
SCHEMBL30981705 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL428202 0.79 HSP90AA1 (0.44) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL422508 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30981706 0.74 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL425218 0.74 PAX8 (0.51) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30701096 0.73 HSP90AA1 (0.52) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL19318761 0.73 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL29546690 0.73 HSP90AA1 (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL28393974 0.72 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL22036737 0.72 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860994-B1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-08-14 EP disclosed
US-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-04-07 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 (1 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-20220106304-A1 Transcription Factor BRN2 Inhibitory Compounds as Therapeutics and Methods for Their Use BRDT, CBFB, CREBBP HSP90AA1 2946/4885HSP90AB1 3173/4885PIK3R1 2603/4885

“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.