SCHEMBL14565279

SCHEMBL14565279

CN(C)/C=N\c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H]3C2OC(=O)N3Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ ADORA2A P29274 5/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ NT5E P21589 1/20 0.38
▸ HINT1 P49773 1/20 0.38
▸ ADORA3 P0DMS8 4/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ IMPDH2 P12268 1/20 0.37

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
SCHEMBL19128051 1.00 HPGD (0.42) HPGDADORA2AADORA2BNT5EHINT1
SCHEMBL23384008 0.94 HPGD (0.38) HPGDADORA2AADORA2BNT5EHINT1
SCHEMBL19128056 0.86 NT5E (0.38) HPGDNT5EHINT1IMPDH2
SCHEMBL19128883 0.84 TYMP (0.49) HPGDNT5EHINT1IMPDH2
SCHEMBL19035636 0.80 HINT1 (0.48) HPGDADORA2AADORA2BHINT1ADORA3
SCHEMBL16822303 0.80 HINT1 (0.48) HPGDADORA2AADORA2BHINT1ADORA3
SCHEMBL16840864 0.80 HINT1 (0.48) HPGDADORA2AADORA2BHINT1ADORA3
SCHEMBL16822302 0.80 HINT1 (0.48) HPGDADORA2AADORA2BHINT1ADORA3
SCHEMBL16840859 0.79 HPGD (0.64) HPGDADORA2AHINT1ADORA3ADORA1
SCHEMBL7259261 0.79 HPGD (0.64) HPGDADORA2AHINT1ADORA3ADORA1

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 HPGD 1258/4885ADORA2A 264/4885ADORA2B 441/4885

“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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