SCHEMBL4152287

SCHEMBL4152287

C[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.65
ADORA2A P29274 4/20 0.51
ADORA1 P30542 3/20 0.51
PDE2A O00408 2/20 0.51
PDE4D Q08499 2/20 0.51
PDE3A Q14432 2/20 0.51
ADRA1A P35348 1/20 0.51
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
RXFP1 Q9HBX9 2/20 0.47
ADORA2B P29275 2/20 0.47
NT5E P21589 4/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
CDK1 P06493 1/20 0.45
PNP P00491 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
SCHEMBL13926700 0.87 PI4KA (0.52) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL4164620 0.86 NT5E (0.51) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL18512532 0.86 PI4KA (0.59) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL19387123 0.85 PI4KA (0.72) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL4148537 0.85 PI4KA (0.58) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL19387129 0.85 PI4KA (0.72) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL7202481 0.85 PI4KA (0.72) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL572470 0.85 PI4KA (0.72) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL14075797 0.85 PI4KA (0.72) ADORA3ADORA2AADORA1PDE2APDE4D
SCHEMBL14088982 0.85 PI4KA (0.72) ADORA3ADORA2AADORA1PDE2APDE4D

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA3 29/4885ADORA2A 33/4885ADORA1 23/4885

“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.