SCHEMBL29914828

SCHEMBL29914828

COC1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N2CCOCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
MGLL Q99685 1/20 0.34
PDE2A O00408 1/20 0.34
LTA4H P09960 2/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
TNF P01375 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KAT2B Q92831 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3R2 O00459 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 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
SCHEMBL29914841 1.00 BACE1 (0.37) BACE1MGLLPDE2ALTA4HATR
SCHEMBL27160127 1.00 BACE1 (0.37) BACE1MGLLPDE2ALTA4HATR
SCHEMBL29914947 1.00 BACE1 (0.37) BACE1MGLLPDE2ALTA4HATR
SCHEMBL27159728 1.00 BACE1 (0.37) BACE1MGLLPDE2ALTA4HATR
SCHEMBL27159722 1.00 BACE1 (0.37) BACE1MGLLPDE2ALTA4HATR
SCHEMBL27159901 0.94 BACE1 (0.39) BACE1MGLLPDE2ALTA4HATR
SCHEMBL29914919 0.94 BACE1 (0.39) BACE1MGLLPDE2ALTA4HATR
SCHEMBL27159842 0.93 MGLL (0.36) BACE1MGLLPDE2AATRATRIP
SCHEMBL29914916 0.93 MGLL (0.36) BACE1MGLLPDE2AATRATRIP
SCHEMBL29914798 0.83 BACE1 (0.36) BACE1LTA4H

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 BACE1 4652/4885MGLL 3423/4885PDE2A 2559/4885

“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.