SCHEMBL5489450

SCHEMBL5489450

N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2cncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.64
▸ POLB P06746 1/20 0.64
▸ ADA P00813 1/20 0.55
▸ DNMT3B Q9UBC3 1/20 0.52
▸ DPP4 P27487 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC28A1 O00337 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ GAPDH P04406 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ STAT6 P42226 1/20 0.51
▸ PI4KA P42356 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PI4K2B Q8TCG2 1/20 0.51
▸ DOT1L Q8TEK3 1/20 0.51

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
SCHEMBL25424615 1.00 ADORA3 (0.64) ADORA3POLBADADNMT3BDPP4
SCHEMBL5489442 1.00 ADORA3 (0.64) ADORA3POLBADADNMT3BDPP4
SCHEMBL14580421 1.00 ADORA3 (0.64) ADORA3POLBADADNMT3BDPP4
SCHEMBL1507731 1.00 ADORA3 (0.64) ADORA3POLBADADNMT3BDPP4
SCHEMBL14580423 0.90 ADORA3 (0.64) ADORA3POLBADADNMT3BDPP4
Nebularine SCHEMBL9644429 0.89 ADA (0.65) ADORA3ADADNMT3BDPP4MEN1
Nebularine SCHEMBL745560 0.89 ADA (0.65) ADORA3ADADNMT3BDPP4MEN1
Nebularine SCHEMBL10666450 0.89 ADA (0.65) ADORA3ADADNMT3BDPP4MEN1
Nebularine SCHEMBL742475 0.89 ADA (0.65) ADORA3ADADNMT3BDPP4MEN1
Nebularine SCHEMBL29362246 0.89 ADA (0.65) ADORA3ADADNMT3BDPP4MEN1

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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties METKINEN OY (FI) 2007-03-22 — — 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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties DUT, UNG, GALE ADORA3 265/4885POLB 696/4885ADA 11/4885

“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.

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