SCHEMBL29964013

SCHEMBL29964013

CN(C)Cc1nc(Br)ccc1C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
HTR1D P28221 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.31
HTR7 P34969 2/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL31079300 0.88 CYP1A2 (0.31) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23103890 0.83 MAP4K1 (0.35) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29736719 0.83 ALDH1A1 (0.40) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23089474 0.83 ALDH1A1 (0.40) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29987835 0.83 MAP4K1 (0.36) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23107288 0.82 MAP4K1 (0.39) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29964389 0.81 CNR2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19CNR2
SCHEMBL23104183 0.77 TBK1 (0.40) ALDH1A1CNR2
SCHEMBL24993451 0.76 MAP4K1 (0.38) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23108892 0.76 MAP4K1 (0.38) MAP4K1CYP1A2CYP3A4CYP2D6CYP2C9

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 MAP4K1 45/4885CYP1A2 2749/4885CYP3A4 2408/4885

“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.