SCHEMBL24375404

SCHEMBL24375404

Nc1ccc(NCCNC2COC2)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 5/20 0.33
KIT P10721 3/20 0.32
MAP4K4 O95819 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DRD2 P14416 4/20 0.31
DRD3 P35462 4/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
MAPT P10636 1/20 0.31
PIK3R1 P27986 1/20 0.31
SSTR5 P35346 1/20 0.31
DRD4 P21917 1/20 0.30
LCK P06239 1/20 0.30
SRC P12931 1/20 0.30
MAPK14 Q16539 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 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
SCHEMBL20934880 0.83 APP (0.39) PTH1RMAP4K4MAPT
SCHEMBL20934859 0.82 MAPT (0.37) PTH1RMAPT
SCHEMBL31247376 0.78 HDAC1 (0.36) KITHDAC1HDAC6DRD2DRD3
SCHEMBL20934767 0.76 FPR2 (0.37) DRD2DRD3MAPTDRD4
SCHEMBL5694416 0.76 MAOA (0.43) MAP4K4HDAC1HDAC6PIK3CAMTOR
SCHEMBL24375405 0.75 BTK (0.34) KITDRD2DRD3DRD4
SCHEMBL20929322 0.73 MAPT (0.42) KITHDAC1HDAC6PIK3CAMTOR
SCHEMBL18779716 0.71 KCNH3 (0.40) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL19981909 0.70 ADRA2A (0.40) PIK3CAMTORMAPT
SCHEMBL24618881 0.70 KIT (0.50) KITMAP4K4

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 PTH1R 3546/4885KIT 2049/4885MAP4K4 1479/4885
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 PTH1R 2044/4885KIT 615/4885MAP4K4 337/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 PTH1R 1778/4885KIT 627/4885MAP4K4 4277/4885

“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.