SCHEMBL27201545

SCHEMBL27201545

O=C1NCCNC1c1cnc2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
HDAC4 P56524 1/20 0.41
IRAK4 Q9NWZ3 8/20 0.37
MAPK8 P45983 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MIF P14174 1/20 0.36
FLT3 P36888 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SSTR4 P31391 1/20 0.35
HTT P42858 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL27201549 0.74 IRAK4 (0.44) HDAC4IRAK4MAPK8NPSR1MIF
SCHEMBL5762778 0.71 IRAK4 (0.50) HDAC4IRAK4MAPK8NPSR1MIF
Hydrochloric Acid SCHEMBL947525 0.70 IRAK4 (0.49) HDAC4IRAK4MAPK8NPSR1MIF
Hydrochloric Acid SCHEMBL26911778 0.70 IRAK4 (0.49) HDAC4IRAK4MAPK8NPSR1MIF
SCHEMBL596560 0.68 PRCP (0.44) ALDH1A1RAB9AKDM4EGLAGAA
SCHEMBL26986647 0.68 PRCP (0.44) ALDH1A1RAB9AKDM4EGLAGAA
SCHEMBL25521500 0.67 IRAK4 (0.45) ADORA3HDAC4IRAK4NPSR1FLT3
SCHEMBL27201495 0.67 IRAK4 (0.54) HDAC4IRAK4MAPK8FLT3
SCHEMBL27201566 0.66 IRAK4 (0.41) IRAK4FLT3SSTR4
SCHEMBL10375118 0.65 CHRNB2 (0.56) NPSR1ALDH1A1RAB9AKDM4EGAA

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP ADORA3 4214/4885HDAC4 2313/4885IRAK4 1128/4885

“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.