SCHEMBL13046063

SCHEMBL13046063

CC[C@H]1O[C@@H](n2cnc3c(N)nc(N(C)C)nc32)[C@H](C)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.53
ADORA3 P0DMS8 4/20 0.53
ADORA1 P30542 2/20 0.53
ADORA2B P29275 4/20 0.46
LMNA P02545 1/20 0.44
NT5E P21589 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL13046060 0.87 HINT1 (0.53) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL13046064 0.86 DNMT1 (0.49) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL10026379 0.85 ADORA3 (0.61) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL13046058 0.85 NT5E (0.61) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL10026396 0.85 ADORA3 (0.61) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL13046068 0.83 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL13046059 0.82 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL14030736 0.81 ADORA3 (0.59) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13449217 0.81 ADORA3 (0.59) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13046062 0.77 ADORA3 (0.33) ADORA2AADORA3ADORA1

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-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 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-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT ADORA2A 66/4885ADORA3 92/4885ADORA1 157/4885

“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.