SCHEMBL29964995

SCHEMBL29964995

COC1CN(Cc2cc(Br)ccc2N2CCOCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CCR5 P51681 2/20 0.43
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MGLL Q99685 1/20 0.37
TSHR P16473 3/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A13 Q16696 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL29964365 0.92 CDC7 (0.44) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29964724 0.92 CDC7 (0.44) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29965082 0.92 CDC7 (0.44) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29964740 0.89 CCR5 (0.42) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29965008 0.83 CYP2A13 (0.51) MEN1KMT2AGAACCR5KDM4E
SCHEMBL27159615 0.80 TSHR (0.54) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29963809 0.80 TSHR (0.50) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29964713 0.79 TSHR (0.56) MEN1KMT2AGAACCR5KDM4E
SCHEMBL29914916 0.79 MGLL (0.36) DRD2DRD4HRH2HRH1DRD3
SCHEMBL27159842 0.79 MGLL (0.36) DRD2DRD4HRH2HRH1DRD3

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 MEN1 2300/4885KMT2A 1561/4885GAA 3039/4885

“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.