SCHEMBL29964130

SCHEMBL29964130

CN(C)Cc1cc(Br)ccc1C1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 3/20 0.37
CCR5 P51681 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
MAP4K1 Q92918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
HTR1D P28221 1/20 0.32
MAPK1 P28482 1/20 0.32
NPY1R P25929 1/20 0.31
HTR2A P28223 4/20 0.30
HTR2C P28335 4/20 0.30
DRD2 P14416 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 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
SCHEMBL22820749 0.91 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3CCR5NOS3
SCHEMBL24722951 0.83 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3KDM4EATM
SCHEMBL25925215 0.80 MAP4K1 (0.34) KDM4EATMMAP4K1IRAK4HTR1D
SCHEMBL29914903 0.79 NOS3 (0.36) NOS3NOS1NOS2KDM4EMAP4K1
SCHEMBL27159826 0.79 NOS3 (0.36) NOS3NOS1NOS2KDM4EMAP4K1
SCHEMBL25926930 0.76 MAPK1 (0.42) KDM4ESMN1; SMN2MAPK1
SCHEMBL24723059 0.76 CHRNB2 (0.41) MAP4K1HTR1DMAPK1
SCHEMBL27159748 0.74 CNR1 (0.36) NOS3NOS1NOS2MAP4K1
SCHEMBL22820461 0.74 SLC6A4 (0.38) SLC6A4MAPK1NPY1RHTR2A
SCHEMBL19174963 0.74 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KDM4EATM

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 SLC6A4 3317/4885SLC6A2 3144/4885SLC6A3 2080/4885

“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.