SCHEMBL24375228

SCHEMBL24375228

CCn1cc(Br)cc(Nc2ccc(N3CCOC[C@@H]3C)nn2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.51
▸ PIK3C3 Q8NEB9 9/20 0.36
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ ATR Q13535 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ ATRIP Q8WXE1 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL24374692 0.88 BTK (0.48) BTKPIK3C3ATRCHEK1PDCD1
SCHEMBL24375305 0.73 BTK (0.52) BTK
SCHEMBL24374760 0.72 BTK (0.51) BTKPIK3C3
SCHEMBL24375294 0.70 BTK (0.55) BTK
SCHEMBL1393637 0.67 BTK (0.49) BTK
SCHEMBL24375403 0.66 BTK (0.47) BTKPIK3C3PDCD1CD274
SCHEMBL749758 0.66 ATR (0.36) PIK3CAATRPIK3CDCHEK1PDCD1
SCHEMBL1392970 0.64 JAK2 (0.40) BTKPIK3CGPIK3CD
SCHEMBL24374635 0.64 MTOR (0.54) PIK3C3PIK3CAPIK3CBPIK3CGATR
SCHEMBL11634928 0.64 MTOR (0.54) PIK3C3PIK3CAPIK3CBPIK3CGATR

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 3481/4885PIK3C3 1802/4885PIK3CA 1632/4885
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 1/4885PIK3C3 27/4885PIK3CA 10/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BTK 2002/4885PIK3C3 1209/4885PIK3CA 1785/4885

“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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