SCHEMBL24374737

SCHEMBL24374737

C[C@H]1CN(C2COC2)CCN1c1ccc(N)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 1/20 0.39
▸ ATR Q13535 2/20 0.38
▸ ADAMTS5 Q9UNA0 5/20 0.36
▸ BTK Q06187 5/20 0.35
▸ EGFR P00533 3/20 0.35
▸ C1S P09871 2/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ ALK Q9UM73 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL21679536 0.82 SLC18A3 (0.41) MAP3K12ATRBTKEGFRSLC18A3
SCHEMBL21679537 0.82 SLC18A3 (0.41) MAP3K12ATRBTKEGFRSLC18A3
SCHEMBL24374736 0.80 LGMN (0.42) ALK
SCHEMBL17642597 0.78 SLC18A3 (0.42) BTKEGFRSLC18A3TLR8TLR7
SCHEMBL17665174 0.78 SLC18A3 (0.42) BTKEGFRSLC18A3TLR8TLR7
SCHEMBL19897368 0.77 CHRNB2 (0.43) MAP3K12ATRBTKEGFR
SCHEMBL17651735 0.77 CHRNB2 (0.43) MAP3K12ATRBTKEGFR
SCHEMBL22296390 0.77 SLC18A3 (0.41) MAP3K12ATRBTKEGFRSLC18A3
SCHEMBL23865969 0.77 SLC18A3 (0.44) MAP3K12ATRBTKEGFRSLC18A3
SCHEMBL17642588 0.77 SLC18A3 (0.41) MAP3K12ATRBTKEGFRSLC18A3

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 3768/4885ATR 2309/4885ADAMTS5 4064/4885
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 169/4885ATR 789/4885ADAMTS5 4017/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 MAP3K12 4414/4885ATR 3674/4885ADAMTS5 1361/4885

“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.

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