SCHEMBL29914916

SCHEMBL29914916

COC1CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N2CCOCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
BACE1 P56817 2/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDE2A O00408 1/20 0.32
ROCK1 Q13464 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
LGMN Q99538 1/20 0.31
ABHD6 Q9BV23 2/20 0.30
PLA2G7 Q13093 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
SCHEMBL27159842 1.00 MGLL (0.36) MGLLBACE1DRD2DRD4HRH2
SCHEMBL29914828 0.93 BACE1 (0.37) MGLLBACE1DRD2DRD4HRH2
SCHEMBL29914841 0.93 BACE1 (0.37) MGLLBACE1DRD2DRD4HRH2
SCHEMBL29914947 0.93 BACE1 (0.37) MGLLBACE1DRD2DRD4HRH2
SCHEMBL27159722 0.93 BACE1 (0.37) MGLLBACE1DRD2DRD4HRH2
SCHEMBL27159728 0.93 BACE1 (0.37) MGLLBACE1DRD2DRD4HRH2
SCHEMBL27160127 0.93 BACE1 (0.37) MGLLBACE1DRD2DRD4HRH2
SCHEMBL29914919 0.91 BACE1 (0.39) MGLLBACE1DRD2DRD4HRH2
SCHEMBL27159901 0.91 BACE1 (0.39) MGLLBACE1DRD2DRD4HRH2
SCHEMBL29914797 0.85 MGLL (0.39) MGLLDRD2DRD4HRH2HRH1

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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO 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 (1 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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 MGLL 3423/4885BACE1 4652/4885DRD2 4636/4885

“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.