SCHEMBL31228137

SCHEMBL31228137

Nc1nccc(CCO)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.47
HRH4 Q9H3N8 2/20 0.42
HSP90AA1 P07900 2/20 0.38
AURKA O14965 1/20 0.38
PRKACA P17612 1/20 0.38
ADORA2A P29274 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TLR8 Q9NR97 1/20 0.36
GRM4 Q14833 1/20 0.35
BCL6 P41182 1/20 0.35
ROCK1 Q13464 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL318276 0.83
SCHEMBL12336950 0.79 TLR8 (0.47) NUDT1HRH4HRH3CDK5CDK5R1
SCHEMBL8127847 0.79 HRH4 (0.42) NUDT1HRH4HSP90AA1AURKAPRKACA
SCHEMBL28749703 0.78 HRH3 (0.51) NUDT1HRH4HSP90AA1AURKAPRKACA
SCHEMBL4273110 0.77 SORD (0.42) NUDT1
SCHEMBL12439674 0.76 NUDT1 (0.51) NUDT1HRH4HSP90AA1AURKAPRKACA
SCHEMBL12514073 0.76 TLR8 (0.53) NUDT1HRH4HRH3TLR8NPC1
Ammonia Solution, Strong SCHEMBL5846083 0.76 HRH3 (0.50) NUDT1HRH4HSP90AA1AURKAPRKACA
SCHEMBL17379406 0.76
SCHEMBL2018150 0.75 RECQL (0.35)

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-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-20240383863-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE INSTITUTE FOR BASIC SCIENCE (KR) 2024-11-21 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 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 (2 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-20240383863-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE NUDT1, UMPS, DPYD NUDT1 1/4885HRH4 1014/4885HSP90AA1 4541/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 NUDT1 1955/4885HRH4 4286/4885HSP90AA1 1133/4885

“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.