SCHEMBL29965008

SCHEMBL29965008

Brc1ccc(N2CCOCC2)c(CN2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.51
CCR5 P51681 2/20 0.51
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.46
GFER P55789 1/20 0.45
MGLL Q99685 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL29963809 0.94 TSHR (0.50) CYP2A13CCR5HSD17B10CYP2C9ALOX15
SCHEMBL27159615 0.94 TSHR (0.54) CYP2A13CCR5HSD17B10CYP2C9ALOX15
SCHEMBL29964713 0.93 TSHR (0.56) CYP2A13CCR5HSD17B10CYP2C9ALOX15
SCHEMBL29964740 0.85 CCR5 (0.42) CYP2A13CCR5HSD17B10ALDH1A1MAPT
SCHEMBL5254444 0.83 CYP2C9 (0.58) CYP2A13CCR5HSD17B10CYP2C9ALOX15
SCHEMBL29964995 0.83 MEN1 (0.43) CYP2A13CCR5HSD17B10ALDH1A1MAPT
SCHEMBL25927073 0.83 CCR5 (0.49) CCR5ALDH1A1MAPTTSHRMEN1
SCHEMBL19496857 0.83 AKR1C3 (0.52) CCR5ALDH1A1MAPTMGLLMEN1
SCHEMBL30816277 0.80 GAA (0.50) CCR5ALDH1A1MAPTTSHRMEN1
SCHEMBL29889006 0.80 CCR5 (0.47) CCR5ALDH1A1MAPTTSHRMEN1

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 CYP2A13 2451/4885CCR5 3103/4885HSD17B10 1998/4885

“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.