SCHEMBL24374839

SCHEMBL24374839

Cn1cc(Br)cc(Nc2ccc(C3CCN(C4COC4)CC3)nn2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.49
▸ TLR9 Q9NR96 4/20 0.42
▸ TLR8 Q9NR97 4/20 0.42
▸ TLR7 Q9NYK1 3/20 0.41
▸ MAP3K12 Q12852 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL28380327 0.86 BTK (0.52) BTKMAP3K12CCND1WNT1GSK3B
SCHEMBL1393637 0.83 BTK (0.49) BTK
SCHEMBL1392995 0.79 BTK (0.52) BTK
SCHEMBL29925331 0.79 BTK (0.52) BTK
SCHEMBL14926053 0.78 LRRK2 (0.37) BTKMAP3K12WNT1GSK3BDYRK1A
SCHEMBL24375305 0.78 BTK (0.52) BTK
SCHEMBL29742101 0.78 BTK (0.49) BTK
SCHEMBL14926113 0.78 BTK (0.49) BTK
SCHEMBL14925977 0.76 BTK (0.40) BTK
SCHEMBL14925899 0.76 BTK (0.47) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-02-09 — — US disclosed
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor HUTCHISON MEDIPHARMA LIMITED (CN) 2022-10-25 — — US disclosed
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-04-28 — — 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 (3 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-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A4, CYP4B1, CYP3A5 BTK 3481/4885TLR9 4713/4885TLR8 4571/4885
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor BTK, SYK, LCK BTK 1/4885TLR9 468/4885TLR8 839/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BTK 2002/4885TLR9 4848/4885TLR8 4687/4885

“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.

Send feedback