SCHEMBL30480243

SCHEMBL30480243

[2H]C([2H])([2H])Nc1ncnc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.36
YTHDF2 Q9Y5A9 1/20 0.36
PDPK1 O15530 1/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
ROCK1 Q13464 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL21913 0.86 YTHDC1 (0.47) YTHDC1YTHDF2PDPK1HTTCYP1A2
SCHEMBL10918759 0.85 YTHDC1 (0.46) YTHDC1YTHDF2PDPK1HTTCYP1A2
SCHEMBL6272986 0.85 YTHDC1 (0.46) YTHDC1YTHDF2PDPK1HTTCYP1A2
SCHEMBL30677338 0.76 PDPK1 (0.33) PDPK1HTTCYP1A2HIF1AROCK1
SCHEMBL11591791 0.76 HTT (0.33) HTTCYP1A2HIF1AROCK1LMNA
SCHEMBL405822 0.76 PDPK1 (0.34) YTHDC1YTHDF2PDPK1HTTCYP1A2
SCHEMBL9116343 0.75 HTT (0.32) HTTCYP1A2HIF1ALMNA
SCHEMBL22892194 0.75 CSNK2A1 (0.33) YTHDC1YTHDF2PDPK1HTTCYP1A2
SCHEMBL4242949 0.75 EGFR (0.33) HTTCYP1A2HIF1ALMNA
SCHEMBL160073 0.75 CYP3A4 (0.35) HTTCYP1A2HIF1ALMNA

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 US disclosed
CN-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 CN 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B YTHDC1 3854/4885YTHDF2 3387/4885PDPK1 1049/4885

“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.