SCHEMBL24374635

SCHEMBL24374635

C[C@H]1COCCN1c1ccc(N)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.54
PIK3CA P42336 9/20 0.54
RPTOR Q8N122 5/20 0.54
MLST8 Q9BVC4 5/20 0.54
ATR Q13535 6/20 0.47
ATRIP Q8WXE1 5/20 0.47
CHEK1 O14757 4/20 0.47
PDCD1 Q15116 4/20 0.47
CD274 Q9NZQ7 4/20 0.47
PIK3R1 P27986 6/20 0.45
RICTOR Q6R327 4/20 0.45
MAPKAP1 Q9BPZ7 4/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
PDPK1 O15530 2/20 0.44
ROCK1 Q13464 2/20 0.44
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.44

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
SCHEMBL11634928 1.00 MTOR (0.54) MTORPIK3CARPTORMLST8ATR
SCHEMBL11634330 0.81 AURKA (0.47) MTORPIK3CARPTORMLST8ATR
SCHEMBL11632971 0.79 MTOR (0.48) MTORPIK3CAATRATRIPCHEK1
SCHEMBL11636017 0.79 MTOR (0.39) MTORPIK3CARPTORMLST8ATR
SCHEMBL247192 0.78 PIK3CA (0.52) MTORPIK3CARPTORMLST8ATR
SCHEMBL22163219 0.78 PIK3CA (0.52) MTORPIK3CARPTORMLST8ATR
SCHEMBL15141830 0.78 ATR (0.46) MTORPIK3CARPTORMLST8ATR
SCHEMBL22163221 0.78 PIK3CA (0.52) MTORPIK3CARPTORMLST8ATR
SCHEMBL15142035 0.78 ATR (0.46) MTORPIK3CARPTORMLST8ATR
SCHEMBL15141832 0.78 ATR (0.46) MTORPIK3CARPTORMLST8ATR

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 MTOR 2836/4885PIK3CA 1632/4885RPTOR 4448/4885
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 MTOR 128/4885PIK3CA 10/4885RPTOR 502/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 MTOR 2222/4885PIK3CA 1785/4885RPTOR 3558/4885

“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.