SCHEMBL16081048

SCHEMBL16081048

Nc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3N)c2n1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.79
P2RX1 P51575 3/20 0.79
P2RX2 Q9UBL9 2/20 0.79
P2RY1 P47900 8/20 0.69
ENPP1 P22413 2/20 0.69
P2RX4 Q99571 2/20 0.69
P2RY11 Q96G91 2/20 0.69
P2RY6 Q15077 1/20 0.69
P2RY12 Q9H244 2/20 0.67
NT5E P21589 1/20 0.66
RNASEL Q05823 2/20 0.65
IMPDH2 P12268 1/20 0.64
IMPDH1 P20839 1/20 0.64
GPR17 Q13304 2/20 0.63
P2RY2 P41231 2/20 0.62
SRC P12931 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL12932283 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL29471291 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL18269547 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL17211052 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL625828 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL3502237 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL13857854 0.93 P2RY1 (0.79) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL22224584 0.90 P2RY1 (0.68) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL25844542 0.90 P2RY1 (0.70) P2RX3P2RX1P2RX2P2RY1ENPP1
SCHEMBL12932310 0.89 P2RY1 (0.71) P2RX3P2RX1P2RX2P2RY1ENPP1

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