SCHEMBL29897149

SCHEMBL29897149

CC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(Br)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PIK3CA P42336 2/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
BCHE P06276 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTT P42858 2/20 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
SCHEMBL21060496 1.00 HTR6 (0.37) HTR6L3MBTL1PIK3CAPIK3R1PIK3CD
SCHEMBL30675181 0.87 HTR6 (0.36) HTR6L3MBTL1PIK3CAPIK3CDABL1
SCHEMBL21060073 0.87 HTR6 (0.36) HTR6L3MBTL1PIK3CAPIK3CDABL1
SCHEMBL21060471 0.86 HSP90AA1 (0.40) HTR6L3MBTL1PIK3CAPIK3CDABL1
SCHEMBL29897152 0.86 HSP90AA1 (0.40) HTR6L3MBTL1PIK3CAPIK3CDABL1
SCHEMBL21060112 0.82 SMN1; SMN2 (0.32)
SCHEMBL26844199 0.80 MAP4K4 (0.43) HTR6PIK3CDPIM1MARK3MAP4K2
SCHEMBL30675157 0.79 TRPV3 (0.41) L3MBTL1HTTPIM1MARK3MAP4K2
SCHEMBL21060196 0.79 TRPV3 (0.41) L3MBTL1HTTPIM1MARK3MAP4K2
SCHEMBL21060267 0.79 MAP4K4 (0.54) L3MBTL1HTTATMNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
EP-3728252-B1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-08-09 EP disclosed
US-20220340555-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-27 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 (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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 HTR6 708/4885L3MBTL1 4352/4885PIK3CA 1054/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 HTR6 708/4885L3MBTL1 4352/4885PIK3CA 1054/4885

“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.