SCHEMBL24374736

SCHEMBL24374736

Nc1ccc(N2CCN(C3COC3)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 3/20 0.42
▸ SYK P43405 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ CTSS P25774 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ S100B P04271 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALK Q9UM73 2/20 0.37

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
SCHEMBL16427245 0.82 CTSS (0.38) SYKCTSSMEN1KMT2AALK
SCHEMBL17665103 0.82 CTSS (0.42) SYKMAPTMAPK1GAACTSS
SCHEMBL17642662 0.82 CTSS (0.40) SYKCTSSALDH1A1L3MBTL1ALK
SCHEMBL17265646 0.82 MAPT (0.52) LGMNMAPTMAPK1HTTGAA
SCHEMBL24374737 0.80 MAP3K12 (0.39) ALK
SCHEMBL17485376 0.79 RORC (0.42) CTSSKMT2AALKKITKDR
SCHEMBL24904213 0.79 TTK (0.44) LGMNMAPTMAPK1HTTGAA
SCHEMBL17660620 0.79 RORC (0.40) CTSSALDH1A1ALKKITKDR
SCHEMBL12005505 0.78 MAPT (0.52) SYKMAPTMAPK1HTTGAA
SCHEMBL520439 0.78 LGMN (0.67) LGMNMAPTMAPK1HTTGAA

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 LGMN 3473/4885SYK 2358/4885MAPT 1451/4885
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 LGMN 4672/4885SYK 2/4885MAPT 3636/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 LGMN 2917/4885SYK 3583/4885MAPT 2381/4885

“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.

Send feedback