SCHEMBL2497351

SCHEMBL2497351

NCC(CCCC(=O)NCC#Cc1cc(C=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 17/20 0.34
ADORA1 P30542 1/20 0.34
P2RY4 P51582 3/20 0.32
P2RY6 Q15077 1/20 0.32

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
SCHEMBL3205335 0.79 CYP1A2 (0.31)
SCHEMBL2499097 0.74 P2RY2 (0.50) P2RY2P2RY4P2RY6
SCHEMBL2496274 0.74 ADORA1 (0.40) ADORA1
SCHEMBL2496583 0.71 P2RY2 (0.53) P2RY2P2RY4P2RY6
SCHEMBL2495634 0.69 SLC5A2 (0.42)
SCHEMBL12212659 0.69 SLC5A2 (0.42)
SCHEMBL2497876 0.66 P2RY2 (0.41) P2RY2P2RY4P2RY6
SCHEMBL14979297 0.62 TYMS (0.36)
SCHEMBL16104239 0.62 TYMS (0.36)
SCHEMBL12212603 0.62 SLC5A2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030478-B2 Method for nucleic acid replication and novel artificial base pairs RIKEN (JP) 2011-10-04 US disclosed
US-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS RIKEN (JP) 2010-02-11 US disclosed
EP-1970445-A1 METHOD FOR NUCLEIC ACID REPLICATION AND NOVEL ARTIFICIAL BASE PAIRS Riken (JP) 2008-09-17 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-20100036111-A1 METHOD FOR REPLICATING NUCLEIC ACIDS AND NOVEL UNNATURAL BASE PAIRS POLM, POLL, POLRMT P2RY2 1656/4885ADORA1 1354/4885P2RY4 1821/4885

“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.