SCHEMBL18351579

SCHEMBL18351579

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)C2O)C(O)C1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 3/20 0.85
▸ P2RX3 P56373 3/20 0.85
▸ ALDH1A1 P00352 2/20 0.85
▸ P2RY1 P47900 7/20 0.81
▸ P2RY2 P41231 4/20 0.81
▸ SRC P12931 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81
▸ P2RX4 Q99571 1/20 0.81
▸ P2RX2 Q9UBL9 1/20 0.81
▸ ENPP1 P22413 3/20 0.78
▸ TRPM2 O94759 2/20 0.76
▸ MACROD2 A1Z1Q3 1/20 0.76
▸ SIRT6 Q8N6T7 1/20 0.76
▸ MACROD1 Q9BQ69 1/20 0.76
▸ TSHR P16473 1/20 0.74
▸ KDM4E B2RXH2 1/20 0.74
▸ LMNA P02545 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ PLCG1 P19174 1/20 0.73
▸ NT5E P21589 1/20 0.73

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
SCHEMBL16674886 0.96 P2RX1 (0.93) P2RX1P2RX3ALDH1A1P2RY1P2RY2
Phosphomethylphosphonic Acid Adenylate Ester SCHEMBL14178282 0.92 P2RX1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
Phosphomethylphosphonic Acid Adenylate Ester SCHEMBL2037068 0.92 P2RX1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
Phosphomethylphosphonic Acid Adenylate Ester SCHEMBL29493202 0.92 P2RX1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
SCHEMBL18351581 0.92 P2RX1 (0.72) P2RX1P2RX3ALDH1A1P2RY1P2RY2
SCHEMBL6516963 0.90 P2RY1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
Diadenosine Tetraphosphate SCHEMBL14205963 0.90 P2RY1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
SCHEMBL21067711 0.90 P2RY1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
Diadenosine Tetraphosphate SCHEMBL4363130 0.90 P2RY1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2
Diadenosine Tetraphosphate SCHEMBL10069136 0.90 P2RY1 (1.00) P2RX1P2RX3ALDH1A1P2RY1P2RY2

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-20160375049-A1 COMPOSITIONS GLOBALACORN LTD (GB) 2016-12-29 — — 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-20160375049-A1 COMPOSITIONS DCTPP1, ENPP3, ENPP1 P2RX1 113/4885P2RX3 54/4885ALDH1A1 3673/4885

“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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