SCHEMBL13046064

SCHEMBL13046064

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.49
DNMT3B Q9UBC3 1/20 0.49
ADORA2A P29274 5/20 0.47
ADORA2B P29275 4/20 0.47
ADORA3 P0DMS8 3/20 0.47
ADORA1 P30542 1/20 0.47
RNASEL Q05823 1/20 0.47
LMNA P02545 1/20 0.46
NT5E P21589 1/20 0.46
HIF1A Q16665 1/20 0.46

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 0.89 HINT1 (0.53) ADORA2AADORA2BADORA3ADORA1NT5E
SCHEMBL13046058 0.87 NT5E (0.61) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL10026396 0.87 ADORA3 (0.61) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL10026379 0.87 ADORA3 (0.61) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL13046063 0.86 ADORA2A (0.53) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL13046068 0.85 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL19843956 0.84 DNMT1 (0.63) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL19843968 0.84 RNASEL (0.51) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL13046059 0.84 ADORA2A (0.44) ADORA2AADORA2BADORA3ADORA1LMNA
SCHEMBL14030736 0.82 ADORA3 (0.59) ADORA2AADORA2BADORA3ADORA1

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 DNMT1 73/4885DNMT3B 314/4885ADORA2A 66/4885

“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.