SCHEMBL24375206

SCHEMBL24375206

Clc1cc(Nc2cc3n(n2)CCN(C2COC2)C3)c2ncnn2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.44
SYK P43405 1/20 0.33
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
TLR9 Q9NR96 2/20 0.32
ATR Q13535 3/20 0.32
PDE1B Q01064 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL25013719 0.83 SYK (0.44) BTKSYK
SCHEMBL14916498 0.77 BTK (0.49) BTKSYKTLR8TLR7TLR9
SCHEMBL24375413 0.74 BTK (0.45) BTKSYK
SCHEMBL24375263 0.73 BTK (0.53) BTK
SCHEMBL608750 0.71 BTK (0.43) BTK
SCHEMBL610486 0.70 BTK (0.46) BTK
SCHEMBL17199555 0.69 BTK (0.58) BTKSYK
SCHEMBL17199538 0.68 BTK (0.60) BTKSYK
SCHEMBL17199627 0.67 BTK (0.78) BTKSYK
SCHEMBL17199625 0.66 BTK (0.53) BTKSYKTLR8TLR7TLR9

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 3481/4885SYK 2358/4885TLR8 4571/4885
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 1/4885SYK 2/4885TLR8 839/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BTK 2002/4885SYK 3583/4885TLR8 4687/4885

“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.