SCHEMBL24374892

SCHEMBL24374892

CCOC(=O)c1cc2c(n1CC(OCC)OCC)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 9/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 3/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 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
SCHEMBL14916940 0.97 ALDH1A1 (0.42) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24374893 0.87 CNR2 (0.37) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL14925991 0.86 ALDH1A1 (0.42) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL24374894 0.86 CNR2 (0.44) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL14915527 0.85 CNR2 (0.40) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL14915982 0.84 CNR2 (0.47) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL25183110 0.81 ALDH1A1 (0.38) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL9100639 0.77 MAPK1 (0.45) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL1393341 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL9098048 0.77 MAPT (0.55) ALDH1A1MAPK1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004902-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-16 CN disclosed
CN-119925375-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-06 CN disclosed
CN-119930630-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-06 CN disclosed
CN-115151535-B Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-01-10 CN 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
CN-115151535-A Heteroaryl heterocyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2022-10-04 CN 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 (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-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A4, CYP4B1, CYP3A5 ALDH1A1 1919/4885MAPK1 4517/4885NPSR1 518/4885
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 ALDH1A1 3619/4885MAPK1 345/4885NPSR1 4182/4885

“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.