SCHEMBL19993680

SCHEMBL19993680

C[C@@H]1[C@H](n2cnc3c(N)ncnc32)O[C@](CF)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.57
▸ P2RX4 Q99571 5/20 0.57
▸ P2RX1 P51575 4/20 0.57
▸ P2RX2 Q9UBL9 2/20 0.57
▸ P2RY1 P47900 5/20 0.56
▸ P2RY2 P41231 5/20 0.56
▸ P2RY11 Q96G91 1/20 0.56
▸ SRC P12931 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RNASEL Q05823 1/20 0.53
▸ MACROD2 A1Z1Q3 1/20 0.51
▸ SIRT6 Q8N6T7 1/20 0.51
▸ MACROD1 Q9BQ69 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ P2RX7 Q99572 1/20 0.51

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
SCHEMBL16374042 0.91 P2RX1 (0.58) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16490112 0.91 P2RX1 (0.58) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL15070749 0.91 P2RX1 (0.58) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16490101 0.85 P2RX1 (0.57) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL15070750 0.85 P2RX1 (0.57) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16368340 0.84 P2RY1 (0.55) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16368319 0.84 P2RX3 (0.60) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16374216 0.84 P2RX3 (0.60) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL16374061 0.83 P2RY1 (0.58) P2RX3P2RX4P2RX1P2RX2P2RY1
SCHEMBL15070748 0.83 P2RX1 (0.57) P2RX3P2RX4P2RX1P2RX2P2RY1

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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 — — 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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RX3 90/4885P2RX4 75/4885P2RX1 79/4885

“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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