SCHEMBL15908440

SCHEMBL15908440

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.52
NT5E P21589 3/20 0.49
HSP90B1 P14625 1/20 0.48
HINT1 P49773 1/20 0.46
ADA P00813 1/20 0.46
AHCY P23526 1/20 0.44
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
ADORA2B P29275 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL465589 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL465590 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL20991001 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL12849772 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL13929038 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL18061789 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL15038015 0.91 ADORA2A (0.62) ADORA2ANT5EADAAHCYLMNA
SCHEMBL26326162 0.87 ADORA3 (0.57) ADORA2ANT5EADORA2BADORA3ADORA1
SCHEMBL12878148 0.86 CA5A (0.56) NT5EADORA1
SCHEMBL22837328 0.86 CA5A (0.56) NT5EADORA1

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-20140212382-A1 PURINE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-07-31 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-20140212382-A1 PURINE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS PNP, MTAP, NT5C3B ADORA2A 83/4885NT5E 84/4885HSP90B1 1454/4885

“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.