SCHEMBL13855563

SCHEMBL13855563

C=C[C@]1(O)[C@@H](C)O[C@@H](n2c(C)nc3c(N)nc(Cl)nc32)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.39
NT5E P21589 4/20 0.38
ADORA2A P29274 4/20 0.36
AMD1 P17707 5/20 0.35
ADORA1 P30542 3/20 0.34
PDE4D Q08499 2/20 0.32
PDE3A Q14432 2/20 0.32
PDE2A O00408 1/20 0.32
ADRA1A P35348 1/20 0.32
CDK1 P06493 1/20 0.31
PNP P00491 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL13855567 0.76 ADORA3 (0.61) ADORA3ADORA2AAMD1ADORA1
SCHEMBL5034807 0.71 HSPA8 (0.55) ADORA3ADORA2AAMD1ADORA1PDE4D
SCHEMBL5034818 0.71 HSPA8 (0.55) ADORA3ADORA2AAMD1ADORA1PDE4D
SCHEMBL14075810 0.71 HSPA8 (0.55) ADORA3ADORA2AAMD1ADORA1PDE4D
SCHEMBL13855568 0.68 ADORA3 (0.46) ADORA3NT5EADORA2AAMD1ADORA1
SCHEMBL13855566 0.68 ADORA3 (0.43) ADORA3NT5EADORA2AAMD1ADORA1
SCHEMBL19387124 0.67 PI4KA (0.51) ADORA3ADORA2AAMD1ADORA1PDE4D
SCHEMBL3879162 0.67 ADORA3 (0.58) ADORA3NT5EADORA2AADORA1PDE4D
SCHEMBL3880288 0.66 ADORA3 (0.51) ADORA3NT5EADORA2AADORA1PDE4D
SCHEMBL13855569 0.65 ADORA2A (0.39) ADORA2A

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA3 34/4885NT5E 66/4885ADORA2A 37/4885

“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.