SCHEMBL24375401

SCHEMBL24375401

C[C@H]1CN(C2COC2)CCN1c1ccc(N)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.41
PIK3CA P42336 6/20 0.39
MTOR P42345 6/20 0.39
RPTOR Q8N122 5/20 0.39
MLST8 Q9BVC4 5/20 0.39
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
ATR Q13535 3/20 0.36
BTK Q06187 4/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
PIK3R1 P27986 4/20 0.32
RICTOR Q6R327 4/20 0.32
MAPKAP1 Q9BPZ7 4/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL24375226 0.84 BTK (0.35) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL19897368 0.78 CHRNB2 (0.43) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL17651735 0.78 CHRNB2 (0.43) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL24375229 0.77 PIK3CA (0.41) MAP3K12PIK3CAMTORRPTORMLST8
SCHEMBL11634928 0.76 MTOR (0.54) PIK3CAMTORRPTORMLST8ATR
SCHEMBL24374635 0.76 MTOR (0.54) PIK3CAMTORRPTORMLST8ATR
SCHEMBL21262603 0.75 CXCR3 (0.43) MAP3K12TLR8TLR7ATRDRD2
SCHEMBL22578893 0.75 CXCR3 (0.43) MAP3K12TLR8TLR7ATRDRD2
SCHEMBL21679536 0.75 SLC18A3 (0.41) MAP3K12TLR8TLR7ATRBTK
SCHEMBL21679537 0.75 SLC18A3 (0.41) MAP3K12TLR8TLR7ATRBTK

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 MAP3K12 3768/4885PIK3CA 1632/4885MTOR 2836/4885
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 MAP3K12 169/4885PIK3CA 10/4885MTOR 128/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 MAP3K12 4414/4885PIK3CA 1785/4885MTOR 2222/4885

“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.