SCHEMBL24374901

SCHEMBL24374901

Cn1cc(Br)cc(Nc2cccnn2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.40
▸ GOT1 P17174 1/20 0.36
▸ BRD4 O60885 5/20 0.35
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ MAP2K1 Q02750 4/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ SHMT2 P34897 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29742044 0.82 MEN1 (0.47) BTKBRD4TYK2SHMT2POLB
SCHEMBL105801 0.82 MEN1 (0.47) BTKBRD4TYK2SHMT2POLB
SCHEMBL16765892 0.80 MAP2K1 (0.33) BTKBRD4MAP2K1POLBGAA
SCHEMBL24374921 0.80 BTK (0.40) BTKJAK2JAK1TYK2MAP2K1
SCHEMBL19959697 0.78 — —
SCHEMBL24374822 0.77 BTK (0.40) BTKBRD4TYK2MAP2K1GAA
SCHEMBL1323108 0.77 XIAP (0.36) BTKBRD4SCN9AMAP2K1
SCHEMBL14925949 0.77 MKNK2 (0.40) BRD4MAP2K1
SCHEMBL14926130 0.76 BTK (0.38) BTKMAP2K1
SCHEMBL255387 0.76 MKNK2 (0.47) BTK

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 3481/4885GOT1 313/4885BRD4 621/4885
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 1/4885GOT1 3354/4885BRD4 355/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BTK 2002/4885GOT1 386/4885BRD4 1261/4885

“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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