SCHEMBL24374787

SCHEMBL24374787

Cn1cc(Br)cc(Nc2ccc(N3CCN(C4COC4)CC3=O)cn2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.53
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ TXK P42681 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ BMX P51813 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42

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
SCHEMBL29925331 0.87 BTK (0.52) BTK
SCHEMBL1392995 0.87 BTK (0.52) BTK
SCHEMBL1393493 0.85 BTK (0.40) BTK
SCHEMBL14916195 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14915244 0.83 BTK (0.54) BTK
SCHEMBL29741838 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14913070 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL31158074 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL14914054 0.83 BTK (0.55) BTKEGFRERBB2TECTXK
SCHEMBL29741839 0.83 BTK (0.55) BTKEGFRERBB2TECTXK

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 BTK 3481/4885EGFR 4048/4885ERBB2 2809/4885
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 BTK 1/4885EGFR 651/4885ERBB2 16/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BTK 2002/4885EGFR 3505/4885ERBB2 2187/4885

“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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