SCHEMBL13834596

SCHEMBL13834596

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cccc(O)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.60
P2RY1 P47900 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
P2RY2 P41231 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
SRC P12931 2/20 0.60
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL13269066 0.93 ADORA1 (0.60) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL13268703 0.91 ADORA1 (0.60) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL5356782 0.91 ADORA3 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL622588 0.91 ADORA1 (0.69) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL13268725 0.89 ADORA1 (0.60) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL62486 0.89 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL932846 0.87 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL8664327 0.85 ADORA1 (0.58) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL22458248 0.85 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL13268905 0.85 ADORA1 (0.56) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3

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
EP-2498774-B1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2017-10-11 EP disclosed
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2012-11-22 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-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 ADORA1 2/4885P2RY1 188/4885SMN1; SMN2 600/4885

“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.