SCHEMBL29964233

SCHEMBL29964233

COC(=O)c1nc(N)ccc1C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.34

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
SCHEMBL29964807 0.84 CNR2 (0.42) CNR2LRRK2ALDH1A1HTR1ADRD2
SCHEMBL29844871 0.76 PDK2 (0.41) CNR2ALDH1A1KDM4ENPSR1PDK2
SCHEMBL23213832 0.76 PDK2 (0.41) CNR2ALDH1A1KDM4ENPSR1PDK2
SCHEMBL26640934 0.74 GAA (0.48) CNR2ALDH1A1KDM4EPDK2PDK4
SCHEMBL30648699 0.74 GAA (0.48) CNR2ALDH1A1KDM4EPDK2PDK4
SCHEMBL28531000 0.73 PTGER4 (0.51) CNR2ALDH1A1KDM4EPDK2PDK4
SCHEMBL23133376 0.73 CNR2 (0.42) CNR2IRAK4CNR1
SCHEMBL23104332 0.73 HPGD (0.46) CNR2ALDH1A1HTR1AKDM4ESMN1; SMN2
SCHEMBL29129336 0.72 ALDH1A1 (0.45) CNR2LRRK2ALDH1A1KDM4EMAPK1
SCHEMBL19900051 0.71 HPGD (0.48) CNR2ALDH1A1KDM4ENPSR1CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 CNR2 3521/4885LRRK2 1274/4885ALDH1A1 1521/4885

“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.