SCHEMBL8932185

SCHEMBL8932185

Nc1nc(CC2CCN(C(=O)OCCc3ccccc3)CC2)nc2c1ncn2CO[C@H](C(=O)NC1CC1)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.41
▸ ADORA1 P30542 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ YAP1 P46937 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADORA2A P29274 4/20 0.32
▸ ADORA2B P29275 3/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32

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
SCHEMBL13625766 0.94 GRIN2B (0.35) GRIN2BADORA1PRMT5WDR77MEN1
SCHEMBL13625892 0.93 GRIN2B (0.40) GRIN2BADORA1
SCHEMBL14265270 0.90 YAP1 (0.34) GRIN2BADORA1ADORA3YAP1ADORA2A
SCHEMBL13625945 0.89 MGLL (0.33) ADORA2A
SCHEMBL14393604 0.89 MGLL (0.33) ADORA2A
SCHEMBL12375339 0.89 ADORA2A (0.46) GRIN2BADORA1ADORA3MEN1KMT2A
SCHEMBL8932177 0.87 ADORA2A (0.41) MEN1KMT2AADORA2A
SCHEMBL8932187 0.86 ADORA2A (0.35) MEN1KMT2AADORA2A
SCHEMBL13625769 0.85 GRIN2B (0.40) GRIN2B
SCHEMBL13625725 0.85 ADORA2A (0.32) ADORA2A

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-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 — — US disclosed
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-03-13 — — 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-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY ADORA2A, ADORA2B, ADORA3 GRIN2B 309/4885ADORA1 4/4885ADORA3 3/4885

“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.

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