SCHEMBL29964668

SCHEMBL29964668

Ic1ccc(N2CCN3CCCC3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTR6 P50406 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC4 P56524 1/20 0.42
MAP4K4 O95819 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
ADCY5 O95622 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CTSC P53634 1/20 0.41
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL4527840 0.87 L3MBTL3 (0.62) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL6370291 0.84 HRH3 (0.43) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL6366209 0.84 HRH3 (0.43) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL6365345 0.84 HRH3 (0.43) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL578751 0.84 L3MBTL3 (0.58) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL12005460 0.83 HRH3 (0.52) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL19012395 0.83 HTR6 (0.57) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL12005958 0.83 HRH3 (0.52) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL12006588 0.83 HRH3 (0.52) HRH3L3MBTL3L3MBTL1HTR6ADRA2A
SCHEMBL29965093 0.83 HRH3 (0.52) HRH3L3MBTL3L3MBTL1HTR6ADRA2A

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 HRH3 492/4885L3MBTL3 2082/4885L3MBTL1 1513/4885

“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.