SCHEMBL26782831

SCHEMBL26782831

Cc1nn(C2CCCC2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
BTK Q06187 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AXL P30530 1/20 0.32
ACHE P22303 3/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL17047825 0.96 AADAT (0.39) HPGDKDM4EALDH1A1HSD17B10AADAT
SCHEMBL21863534 0.92 DRD2 (0.37) HPGDAADATDRD2DRD4DRD3
SCHEMBL9930849 0.85 DRD2 (0.34) DRD2DRD4DRD3AXLNOS3
SCHEMBL5021276 0.84 GAA (0.46) DRD2DRD4DRD3ALOX15AXL
SCHEMBL5021087 0.84 LRRK2 (0.41) DRD2DRD4DRD3AXL
SCHEMBL22648242 0.84 GABRA1 (0.44) ALDH1A1MAPTALOX15TDP1MEN1
Hydrochloric Acid SCHEMBL15995690 0.82 GAA (0.45) DRD2DRD4DRD3ALOX15AXL
SCHEMBL17076774 0.82 HTR2B (0.42) HPGDDRD2DRD4DRD3ALOX15
SCHEMBL15652263 0.82 HTR2B (0.42) HPGDDRD2DRD4DRD3ALOX15
SCHEMBL15650577 0.82 LRRK2 (0.36) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-10-26 US 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-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 HPGD 1842/4885KDM4E 1497/4885ALDH1A1 2251/4885

“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.