SCHEMBL21060414

SCHEMBL21060414

CC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(OCC3CN(C(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
NAMPT P43490 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
NR1H2 P55055 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
USP1 O94782 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
JAK3 P52333 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL30675209 1.00 ALOX5AP (0.39) ALOX5APFEN1NAMPTGPR119NR1H2
SCHEMBL29897174 0.90 ALOX5AP (0.41) ALOX5APFEN1GPR119HTTCNR2
SCHEMBL21060372 0.90 ALOX5AP (0.41) ALOX5APFEN1GPR119HTTCNR2
SCHEMBL30675157 0.81 TRPV3 (0.41) ALOX5APFEN1NAMPTKCNK3KCNK9
SCHEMBL21060196 0.81 TRPV3 (0.41) ALOX5APFEN1NAMPTKCNK3KCNK9
SCHEMBL21062267 0.80 ALOX5AP (0.41) ALOX5APFEN1NAMPTGPR119SLC5A1
SCHEMBL30619927 0.80 ALOX5AP (0.41) ALOX5APFEN1NAMPTGPR119SLC5A1
SCHEMBL21060073 0.80 HTR6 (0.36) GPR119HTTATMNPC1ALDH1A1
SCHEMBL30675181 0.80 HTR6 (0.36) GPR119HTTATMNPC1ALDH1A1
SCHEMBL21060104 0.79 GPR119 (0.51) GPR119HTTNPC1ALDH1A1MAPT

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 12 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
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
US-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
EP-3728252-A1 4-AZAINDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
CN-111819176-A 4-azaindole compounds 百时美施贵宝公司 2020-10-23 CN disclosed
US-10730877-B2 4-Azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20200095247-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-03-26 US disclosed
US-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 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 (7 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 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885
US-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885
US-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 ALOX5AP 475/4885FEN1 2360/4885NAMPT 1136/4885

“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.