SCHEMBL21097446

SCHEMBL21097446

O=C(O)C1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.71
TSHR P16473 2/20 0.69
CYP3A4 P08684 1/20 0.69
NFKB1 P19838 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
ALDH1A1 P00352 1/20 0.69
ADORA2A P29274 4/20 0.67
ADORA2B P29275 4/20 0.67
TP53 P04637 1/20 0.63
SLC29A1 Q99808 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL3253858 0.91 ADORA3 (0.81) ADORA3TSHRCYP3A4NFKB1BLM
SCHEMBL9388463 0.91 ADORA3 (0.81) ADORA3TSHRCYP3A4NFKB1BLM
SCHEMBL13975993 0.88 TSHR (0.85) ADORA3TSHRCYP3A4NFKB1BLM
SCHEMBL21139455 0.88 TSHR (0.85) ADORA3TSHRCYP3A4NFKB1BLM
SCHEMBL17371120 0.88 TSHR (0.85) ADORA3TSHRCYP3A4NFKB1BLM
SCHEMBL4542860 0.88 TSHR (0.85) ADORA3TSHRCYP3A4NFKB1BLM
SCHEMBL20626300 0.84 SLC29A1 (0.84) ADORA3ADORA2ATP53SLC29A1TDP1
SCHEMBL63259 0.84 SLC29A1 (0.84) ADORA3ADORA2ATP53SLC29A1TDP1
SCHEMBL17824431 0.84 SLC29A1 (0.84) ADORA3ADORA2ATP53SLC29A1TDP1
SCHEMBL75915 0.84 SLC29A1 (0.84) ADORA3ADORA2ATP53SLC29A1TDP1

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-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (TW) 2019-07-09 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-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 ADORA3 3/4885TSHR 484/4885CYP3A4 4325/4885

“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.