SCHEMBL24374898

SCHEMBL24374898

Nc1ccc(N2C[C@@H]3C[C@H]2CN3C2COC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
MAP3K12 Q12852 2/20 0.47
MTOR P42345 9/20 0.34
PIK3R1 P27986 8/20 0.34
PIK3CA P42336 8/20 0.34
RICTOR Q6R327 8/20 0.34
RPTOR Q8N122 8/20 0.34
MAPKAP1 Q9BPZ7 8/20 0.34
MLST8 Q9BVC4 8/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL25797173 0.81 MAP3K12 (0.43) MAP3K12TLR9TLR8TLR7
SCHEMBL17055346 0.78 CHRNB2 (0.46) CHRNB2CHRNA4MAP3K12MTORPIK3R1
SCHEMBL30116128 0.77 CHRNB2 (0.44) CHRNB2CHRNA4MTORPIK3R1PIK3CA
SCHEMBL24374902 0.75 CHRNB2 (0.44) CHRNB2CHRNA4MAP3K12MTORPIK3R1
SCHEMBL25014128 0.75 CHRNB2 (0.41) CHRNB2CHRNA4MTORPIK3R1PIK3CA
SCHEMBL16872560 0.74 CHRNB2 (0.56) CHRNB2CHRNA4MAP3K12MTOR
SCHEMBL22650580 0.74 CHRNB2 (0.52) CHRNB2CHRNA4MAP3K12MTOR
SCHEMBL2723382 0.74 CHRNB2 (0.56) CHRNB2CHRNA4MAP3K12MTOR
SCHEMBL23089503 0.73 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12MTORPIK3CA
SCHEMBL22650441 0.73 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12MTORPIK3CA

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 CHRNB2 3221/4885CHRNA4 949/4885MAP3K12 3768/4885
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 CHRNB2 4213/4885CHRNA4 4455/4885MAP3K12 169/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 CHRNB2 2855/4885CHRNA4 3481/4885MAP3K12 4414/4885

“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.