SCHEMBL29897152

SCHEMBL29897152

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
HTR6 P50406 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL21060471 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1KMT2ALMNAHTR6
SCHEMBL29897149 0.86 HTR6 (0.37) HSP90AA1HSP90AB1KMT2AHTR6L3MBTL1
SCHEMBL21060496 0.86 HTR6 (0.37) HSP90AA1HSP90AB1KMT2AHTR6L3MBTL1
SCHEMBL30675181 0.84 HTR6 (0.36) HSP90AA1HSP90AB1HTR6L3MBTL1PIK3CD
SCHEMBL21060073 0.84 HTR6 (0.36) HSP90AA1HSP90AB1HTR6L3MBTL1PIK3CD
SCHEMBL21060433 0.82 LMNA (0.35) LMNAHTR6L3MBTL1PIK3CAHTT
SCHEMBL16606157 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1KMT2ALMNAHTR6
SCHEMBL26844199 0.79 MAP4K4 (0.43) KMT2AHTR6PIK3CDNPC1RAB9A
SCHEMBL30675157 0.78 TRPV3 (0.41) L3MBTL1HTTNPC1ALDH1A1MAPT
SCHEMBL21060267 0.78 MAP4K4 (0.54) LMNAL3MBTL1HTTNPC1ALDH1A1

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 HSP90AA1 3106/4885HSP90AB1 3166/4885KMT2A 2089/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 HSP90AA1 3106/4885HSP90AB1 3166/4885KMT2A 2089/4885

“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.