SCHEMBL4541368

SCHEMBL4541368

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccc(Br)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.64
ADORA3 P0DMS8 2/20 0.64
ADORA2A P29274 2/20 0.64
ADORA2B P29275 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
DPP4 P27487 1/20 0.62
MEN1 O00255 1/20 0.62
SLC28A1 O00337 1/20 0.62
MAP3K7 O43318 1/20 0.62
SLC28A2 O43868 1/20 0.62
GAPDH P04406 1/20 0.62
MAPK1 P28482 1/20 0.62
STAT6 P42226 1/20 0.62
PI4KA P42356 1/20 0.62
KMT2A Q03164 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
DOT1L Q8TEK3 1/20 0.62
SLC29A1 Q99808 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62
SLC28A3 Q9HAS3 1/20 0.62

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
SCHEMBL62486 0.92 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL932846 0.92 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL13269131 0.90 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL13269154 0.90 PDE2A (0.66) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL13269088 0.90 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL622588 0.90 ADORA1 (0.69) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL22458248 0.89 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL4537888 0.89 TRDMT1 (0.64) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL14696730 0.89 ADORA1 (0.60) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL13269081 0.88 TRDMT1 (0.63) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2

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 4 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
EP-2498774-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES Academia Sinica (TW) 2012-09-19 EP disclosed
WO-2012064340-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2012-05-18 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 (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 2/4885ADORA3 3/4885ADORA2A 1/4885

“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.