SCHEMBL20820205

SCHEMBL20820205

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)C1N=[N+]=[N-]

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ ADORA2A P29274 5/20 0.53
▸ ADORA2B P29275 4/20 0.53
▸ ADORA3 P0DMS8 3/20 0.53
▸ ADORA1 P30542 3/20 0.53
▸ CYP2C19 P33261 1/20 0.52
▸ SLC29A1 Q99808 5/20 0.51
▸ PGK1 P00558 1/20 0.48
▸ PGK2 P07205 1/20 0.48

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
SCHEMBL16081109 1.00 ALDH1A1 (0.64) ALDH1A1HIF1AADORA2AADORA2BADORA3
SCHEMBL16081012 0.87 HIF1A (0.76) ALDH1A1HIF1AADORA2AADORA2BADORA3
SCHEMBL20820220 0.87 HIF1A (0.76) ALDH1A1HIF1AADORA2AADORA2BADORA3
SCHEMBL2218888 0.85 ADORA2A (0.70) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL20820173 0.85 P2RY1 (0.55) ALDH1A1
SCHEMBL16081121 0.85 P2RY1 (0.55) ALDH1A1
SCHEMBL19186882 0.84 ADORA2A (0.59) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL13468488 0.84 ADORA2A (0.59) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL16081039 0.84 ADORA2A (0.59) ADORA2AADORA2BADORA3ADORA1CYP2C19
SCHEMBL8970907 0.83 ADORA2A (0.62) HIF1AADORA2AADORA2BADORA3ADORA1

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-10231986-B2 Amino acid phosphoramidate pronucleotides of 2′-cyano, azido and amino nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-03-19 — — 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-10231986-B2 Amino acid phosphoramidate pronucleotides of 2′-cyano, azido and amino nucleosides for the treatment of HCV PNP, RNGTT, NSUN2 ALDH1A1 2726/4885HIF1A 3443/4885ADORA2A 79/4885

“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.

Send feedback