SCHEMBL29914872

SCHEMBL29914872

CC1(C)OB(c2ccc(C3CCOCC3)c(CN3CCC3)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2A13 Q16696 3/20 0.32
FTO Q9C0B1 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CXCR4 P61073 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL27159919 1.00 LPL (0.33) LPLLIPGROCK1HIF1ACYP2A13
SCHEMBL29914723 0.98 LPL (0.33) LPLLIPGROCK1HIF1ACYP2A13
SCHEMBL27159650 0.98 LPL (0.33) LPLLIPGROCK1HIF1ACYP2A13
SCHEMBL27159890 0.88 BACE1 (0.37) ROCK1HIF1ACNR1MEN1KMT2A
SCHEMBL29914738 0.88 BACE1 (0.37) ROCK1HIF1ACNR1MEN1KMT2A
SCHEMBL29914972 0.85 HRH3 (0.36) HSD17B10MEN1KMT2ANPSR1KCNH2
SCHEMBL29914885 0.85 HRH3 (0.36) HSD17B10MEN1KMT2ANPSR1KCNH2
SCHEMBL27159914 0.85 HRH3 (0.36) HSD17B10MEN1KMT2ANPSR1KCNH2
SCHEMBL27159910 0.85 HRH3 (0.36) HSD17B10MEN1KMT2ANPSR1KCNH2
SCHEMBL27159906 0.85 HRH3 (0.36) HSD17B10MEN1KMT2ANPSR1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL 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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 LPL 2634/4885LIPG 2562/4885ROCK1 2846/4885

“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.