SCHEMBL22405035

SCHEMBL22405035

CC(C)(C)OC(=O)N1CCC(Nc2cncc(-c3cnc(Nc4ccccn4)nc3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.73
EGFR P00533 9/20 0.73
USP30 Q70CQ3 2/20 0.49
NOS2 P35228 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
SYK P43405 1/20 0.47
RIPK2 O43353 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL22400925 0.88 EGFR (0.75) BTKEGFRUSP30SYKRIPK2
SCHEMBL22405025 0.86 BTK (0.76) BTKEGFRUSP30SYKRIPK2
SCHEMBL30091819 0.84 EGFR (1.00) BTKEGFR
SCHEMBL22404957 0.84 EGFR (1.00) BTKEGFR
SCHEMBL30091792 0.84 EGFR (0.73) BTKEGFRRIPK2ALDH1A1NPC1
SCHEMBL22400981 0.84 EGFR (0.73) BTKEGFRRIPK2ALDH1A1NPC1
SCHEMBL28466941 0.84 EGFR (0.76) BTKEGFRUSP30RIPK2
SCHEMBL30091817 0.84 EGFR (0.76) BTKEGFRUSP30RIPK2
SCHEMBL22404973 0.82 ALDH1A1 (0.53) BTKEGFRUSP30GPR119SYK
SCHEMBL4929565 0.82 ALDH1A1 (0.56) BTKEGFRUSP30GPR119RIPK2

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
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 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-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK BTK 1/4885EGFR 403/4885USP30 1692/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK BTK 1/4885EGFR 380/4885USP30 1786/4885

“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.