SCHEMBL20938425

SCHEMBL20938425

Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.54
▸ P2RX4 Q99571 2/20 0.54
▸ P2RX2 Q9UBL9 2/20 0.54
▸ ADK P55263 10/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HASPIN Q8TF76 1/20 0.49
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ GAPDH P04406 2/20 0.45
▸ ENPP1 P22413 1/20 0.45
▸ P2RX6 O15547 1/20 0.43
▸ P2RX1 P51575 1/20 0.43
▸ P2RX5 Q93086 1/20 0.43
▸ P2RY11 Q96G91 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ HRAS P01112 1/20 0.43

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
SCHEMBL20058777 0.92 ADK (0.51) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL20938335 0.90 P2RX3 (0.55) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL30050679 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL13021362 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL13410466 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL12374608 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL2787845 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL18595659 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL18595740 0.90 ADK (0.52) P2RX3P2RX4P2RX2ADKMEN1
SCHEMBL7110607 0.88 P2RX3 (0.53) P2RX3P2RX4P2RX2ADKMEN1

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-11072628-B2 Nucleoside analogues for the treatment of parasitic infections UNIVERSITEIT GENT (BE) 2021-07-27 — — US disclosed
US-20210024566-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS UNIVERSITEIT GENT (BE) 2021-01-28 — — US disclosed
WO-2019076633-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS UNIVERSITEIT GENT (BE) 2019-04-25 — — WO 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 (2 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-11072628-B2 Nucleoside analogues for the treatment of parasitic infections PNP, NUDT1, SAMHD1 P2RX3 282/4885P2RX4 300/4885P2RX2 303/4885
US-20210024566-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS PNP, NUDT1, SAMHD1 P2RX3 282/4885P2RX4 300/4885P2RX2 303/4885

“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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