SCHEMBL2813685

SCHEMBL2813685

CCOc1ccc(C(Nc2ccn([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccc(OCC)cc4)[C@H]3F)c(=O)n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 15/20 0.33
P2RY2 P41231 9/20 0.33
P2RY4 P51582 8/20 0.33
P2RY14 Q15391 2/20 0.33
NT5E P21589 1/20 0.33
TYMP P19971 2/20 0.31

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
SCHEMBL383089 0.93 TYMP (0.36) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13134622 0.93 TYMP (0.36) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13134620 0.93 TYMP (0.36) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13134609 0.82 TYMP (0.35) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL383115 0.81 TYMP (0.38) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13130124 0.77 P2RY6 (0.35) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13765505 0.77 P2RY6 (0.35) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13134584 0.77 P2RY6 (0.35) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13134623 0.77 TYMP (0.34) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL13134608 0.77 TYMP (0.34) P2RY6P2RY2P2RY4P2RY14NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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 (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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR P2RY6 93/4885P2RY2 103/4885P2RY4 71/4885

“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.