SCHEMBL29964653

SCHEMBL29964653

CCN1C[C@H]2C[C@@]2(c2ccc(Br)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
DRD3 P35462 4/20 0.51
DRD2 P14416 3/20 0.51
CYP2D6 P10635 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL14615319 0.86 KCNH2 (0.52) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL6003339 0.86 KCNH2 (0.52) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL4075128 0.86 KCNH2 (0.52) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL6002385 0.86 KCNH2 (0.52) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL11084454 0.84 KCNH2 (0.54) KCNH2DRD3DRD2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL5437235 0.84 KCNH2 (0.51) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL11077313 0.84 KCNH2 (0.54) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL4073749 0.84 KCNH2 (0.51) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL7031873 0.84 KCNH2 (0.50) KCNH2DRD3DRD2CYP2D6SLC6A2
SCHEMBL13312896 0.84 KCNH2 (0.50) KCNH2DRD3DRD2CYP2D6SLC6A2

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 KCNH2 2927/4885DRD3 4742/4885DRD2 4804/4885

“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.