SCHEMBL1998514

SCHEMBL1998514

NCC#Cc1c[nH]c(=O)c([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 18/20 0.44
P2RY4 P51582 5/20 0.44
P2RY6 Q15077 1/20 0.41
GPR17 Q13304 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL3238028 0.82 P2RY2 (0.44) P2RY2P2RY4P2RY6P2RX3
SCHEMBL3238072 0.82 P2RY2 (0.49) P2RY2P2RY4P2RY6P2RX3
SCHEMBL3243022 0.81 P2RY2 (0.45) P2RY2P2RY4P2RY6P2RX3
SCHEMBL3236533 0.80 PNP (0.36)
SCHEMBL24414862 0.76 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3
SCHEMBL15810760 0.76 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3
SCHEMBL18609298 0.76 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3
SCHEMBL21277514 0.76 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3
SCHEMBL21277384 0.76 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3
SCHEMBL15810759 0.76 P2RY2 (0.51) P2RY2P2RY4P2RY6P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US claimed
EP-1544294-B1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF RIKEN (JP) 2013-04-10 EP disclosed
US-7960543-B2 Nucleoside or nucleotide derivative and use thereof RIKEN (JP) 2011-06-14 US disclosed
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US disclosed
US-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof RIKEN (JP) 2009-11-05 US disclosed
EP-1816130-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVE AND USE THEREOF Riken (JP) 2007-08-08 EP disclosed
US-20060263771-A1 Nucleoside or nucleotides having novel unnatural bases and utilization of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-11-23 US disclosed
EP-1544294-A1 NUCLEOSIDES OR NUCLEOTIDES HAVING NOVEL UNNATURAL BASES AND USE THEREOF Riken (JP) 2005-06-22 EP 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-20090275017-A1 Novel Nucleoside or Nucleotide Derivative and Use Thereof DUT, NT5C3B, NT5C P2RY2 1018/4885P2RY4 1005/4885P2RY6 693/4885

“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.