SCHEMBL3879162

SCHEMBL3879162

C=C[C@]1(O)[C@H](O)[C@@H](C)O[C@H]1n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.58
ADORA2A P29274 4/20 0.58
NT5E P21589 3/20 0.48
PDE4D Q08499 2/20 0.47
PDE3A Q14432 2/20 0.47
PNP P00491 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ADORA1 P30542 3/20 0.46
PDE2A O00408 1/20 0.46
ADRA1A P35348 1/20 0.46
HSP90AA1 P07900 2/20 0.44
HSP90B1 P14625 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL30262561 0.85 ADORA2A (0.73) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL19947988 0.85 ADORA2A (0.73) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL3882647 0.81 ADORA2A (0.54) ADORA3ADORA2AADORA1
SCHEMBL3880288 0.75 ADORA3 (0.51) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL19843960 0.74 ADORA3 (1.00) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL3877328 0.74 ADORA3 (1.00) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL4451394 0.74 ADORA3 (1.00) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL28484259 0.73 ADORA2A (1.00) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL30262576 0.73 ADORA2A (1.00) ADORA3ADORA2ANT5EPDE4DPDE3A
SCHEMBL3437025 0.73 ADORA2A (1.00) ADORA3ADORA2ANT5EPDE4DPDE3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA3 34/4885ADORA2A 37/4885NT5E 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.