SCHEMBL24374875

SCHEMBL24374875

C[Si](C)(C)CCOCn1nc(Cl)cc(Nc2ccc(N3CCN(C4COC4)CC3)cn2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.41
CDK4 P11802 4/20 0.37
CCND3 P30281 3/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK6 Q00534 1/20 0.37
CCND1 P24385 3/20 0.37
PARP1 P09874 1/20 0.36
FGFR4 P22455 1/20 0.36
CCND2 P30279 2/20 0.36

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
SCHEMBL25013739 0.87 BTK (0.43) BTKCDK4CCND3CCNA2CDK2
SCHEMBL1393440 0.82 BTK (0.46) BTKCDK4CCND3CCNA2CDK2
SCHEMBL14926073 0.80 CDK4 (0.34) BTKCDK4CCND3CCNA2CDK2
SCHEMBL24374873 0.80 BTK (0.45) BTK
SCHEMBL14916437 0.78 CDK4 (0.39) BTKCDK4CCND3CCNA2CDK2
SCHEMBL20281238 0.75 BTK (0.58) BTK
SCHEMBL25013737 0.75 BTK (0.55) BTK
SCHEMBL28855376 0.75 BTK (0.55) BTK
SCHEMBL31031436 0.75 BTK (0.55) BTK
SCHEMBL28361460 0.74 GPR119 (0.39) 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 3481/4885CDK4 168/4885CCND3 1773/4885
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 1/4885CDK4 333/4885CCND3 1902/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BTK 2002/4885CDK4 1583/4885CCND3 2430/4885

“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.