SCHEMBL16081102

SCHEMBL16081102

N#C[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 5/20 0.78
▸ P2RX3 P56373 5/20 0.78
▸ P2RX2 Q9UBL9 2/20 0.78
▸ P2RY1 P47900 7/20 0.75
▸ P2RY2 P41231 3/20 0.75
▸ SRC P12931 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ P2RX4 Q99571 2/20 0.75
▸ RNASEL Q05823 1/20 0.72
▸ TRPM2 O94759 2/20 0.71
▸ MACROD2 A1Z1Q3 1/20 0.71
▸ SIRT6 Q8N6T7 1/20 0.71
▸ MACROD1 Q9BQ69 1/20 0.71
▸ ENPP1 P22413 1/20 0.67
▸ DNPH1 O43598 1/20 0.67
▸ PRKAB2 O43741 1/20 0.67
▸ LDHA P00338 1/20 0.67
▸ ADRB2 P07550 1/20 0.67
▸ FBP1 P09467 1/20 0.67

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
Adenosine Triphosphate SCHEMBL27962123 0.90 P2RY1 (0.93) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL19834218 0.90 P2RY1 (0.93) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL7133726 0.90 P2RY1 (0.93) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL3498798 0.89 P2RY1 (0.91) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL27783351 0.89 P2RY1 (0.91) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL4594616 0.89 P2RY1 (0.91) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL4362224 0.89 P2RY1 (0.94) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Diphosphate SCHEMBL11581047 0.89 P2RY1 (0.91) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL4997435 0.89 P2RY1 (0.94) P2RX1P2RX3P2RX2P2RY1P2RY2
Adenosine Triphosphate SCHEMBL18089781 0.89 P2RY1 (0.94) P2RX1P2RX3P2RX2P2RY1P2RY2

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 6 patents. 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
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 (3 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 P2RX1 85/4885P2RX3 145/4885P2RX2 190/4885
US-20160113956-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, RNGTT, NSUN2 P2RX1 84/4885P2RX3 144/4885P2RX2 185/4885
US-20140271547-A1 AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF 2'-CYANO, AZIDO AND AMINO NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, RNGTT, NSUN2 P2RX1 84/4885P2RX3 144/4885P2RX2 185/4885

“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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