SCHEMBL16081012

SCHEMBL16081012

[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.76
▸ ALDH1A1 P00352 1/20 0.76
▸ ADORA2A P29274 5/20 0.59
▸ ADORA3 P0DMS8 3/20 0.59
▸ ADORA2B P29275 3/20 0.59
▸ LMNA P02545 1/20 0.57
▸ NT5E P21589 1/20 0.57
▸ CYP2C19 P33261 1/20 0.55
▸ ADORA1 P30542 2/20 0.54
▸ PDE2A O00408 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54

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
SCHEMBL20820220 1.00 HIF1A (0.76) HIF1AALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL20820205 0.87 ALDH1A1 (0.64) HIF1AALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL16081109 0.87 ALDH1A1 (0.64) HIF1AALDH1A1ADORA2AADORA3ADORA2B
Arazide SCHEMBL16569037 0.87 ALDH1A1 (1.00) HIF1AALDH1A1ADORA2AADORA3ADORA2B
Arazide SCHEMBL14580416 0.87 ALDH1A1 (1.00) HIF1AALDH1A1ADORA2AADORA3ADORA2B
Arazide SCHEMBL29533521 0.87 ALDH1A1 (1.00) HIF1AALDH1A1ADORA2AADORA3ADORA2B
Arazide SCHEMBL20820203 0.87 ALDH1A1 (1.00) HIF1AALDH1A1ADORA2AADORA3ADORA2B
Arazide SCHEMBL16081100 0.87 ALDH1A1 (1.00) HIF1AALDH1A1ADORA2AADORA3ADORA2B
SCHEMBL24359132 0.84 LMNA (0.78) HIF1AADORA2AADORA3ADORA2BLMNA
SCHEMBL22559823 0.84 LMNA (0.78) HIF1AADORA2AADORA3ADORA2BLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2016-04-28 — — US disclosed
US-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2016-04-28 — — US disclosed
WO-2014160484-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2014-10-02 — — WO disclosed
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2014-09-18 — — US disclosed
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2014-09-18 — — 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 (2 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-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, RNGTT, NSUN2 HIF1A 3385/4885ALDH1A1 2764/4885ADORA2A 81/4885
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, RNGTT, NSUN2 HIF1A 3385/4885ALDH1A1 2764/4885ADORA2A 81/4885

“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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