SCHEMBL29914798

SCHEMBL29914798

COC1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N2CCSCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 3/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ROCK1 Q13464 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
SCHEMBL27159698 1.00 BACE1 (0.36) BACE1LTA4HALDH1A1GAAKDM4E
SCHEMBL27159901 0.89 BACE1 (0.39) BACE1LTA4HALDH1A1KDM4E
SCHEMBL29914919 0.89 BACE1 (0.39) BACE1LTA4HALDH1A1KDM4E
SCHEMBL29914841 0.83 BACE1 (0.37) BACE1LTA4H
SCHEMBL29914947 0.83 BACE1 (0.37) BACE1LTA4H
SCHEMBL29914828 0.83 BACE1 (0.37) BACE1LTA4H
SCHEMBL27159722 0.83 BACE1 (0.37) BACE1LTA4H
SCHEMBL27159728 0.83 BACE1 (0.37) BACE1LTA4H
SCHEMBL27160127 0.83 BACE1 (0.37) BACE1LTA4H
SCHEMBL29914916 0.80 MGLL (0.36) BACE1ROCK1

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 4652/4885LTA4H 2874/4885ALDH1A1 1439/4885

“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.