SCHEMBL29965593

SCHEMBL29965593

CN(C)Cc1cc(Br)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.53
▸ PDE4B Q07343 3/20 0.53
▸ PDE4A P27815 2/20 0.53
▸ PDE4C Q08493 2/20 0.53
▸ GPR119 Q8TDV5 8/20 0.50
▸ KDM1A O60341 1/20 0.48
▸ TOP2A P11388 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.43
▸ DPP4 P27487 1/20 0.43

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
SCHEMBL13718678 0.83 GPR119 (0.66) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL2277132 0.83 PDE4B (0.64) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL31583988 0.83 PDE4B (0.64) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL18318290 0.83 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL12801190 0.83 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL31079299 0.82 BACE1 (0.51) GPR119DPP4
SCHEMBL29964426 0.81 GPR119 (0.53) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL16828811 0.81 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL274655 0.81 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL14862778 0.81 GPR119 (0.61) PDE4DPDE4BPDE4APDE4CGPR119

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 PDE4D 3794/4885PDE4B 3312/4885PDE4A 2610/4885

“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.

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