SCHEMBL13855573

SCHEMBL13855573

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.53
ADORA2A P29274 3/20 0.47
ADORA1 P30542 2/20 0.47
PDE2A O00408 1/20 0.47
ADRA1A P35348 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
NT5E P21589 10/20 0.47
CD99 P14209 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
ADORA2B P29275 1/20 0.45
IARS1 P41252 1/20 0.42

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
SCHEMBL13855570 0.80 ADORA3 (0.33) ADORA3NT5ECD99
SCHEMBL3880012 0.79 ADORA3 (0.70) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL4758255 0.75 ADORA3 (0.56) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL3880288 0.75 ADORA3 (0.51) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL19948534 0.73 ADORA3 (0.48) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL30262562 0.73 ADORA3 (0.48) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL23474182 0.72 PDE2A (0.69) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL23474142 0.72 PDE2A (0.69) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL24220765 0.72 PDE2A (0.69) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL19843960 0.70 ADORA3 (1.00) ADORA3ADORA2AADORA1PDE2AADRA1A

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 34/4885ADORA2A 37/4885ADORA1 21/4885

“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.