SCHEMBL21078564

SCHEMBL21078564

C#C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1cnn2c(N)ncnc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.42
▸ P2RX1 P51575 3/20 0.42
▸ P2RX2 Q9UBL9 2/20 0.42
▸ P2RX4 Q99571 2/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ P2RY1 P47900 4/20 0.40
▸ P2RY2 P41231 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ENTPD1 P49961 2/20 0.39

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
SCHEMBL15682899 0.85 P2RX1 (0.47) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL21078597 0.80 P2RX1 (0.42) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL21078482 0.78 POLRMT (0.53) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL17114381 0.75 POLRMT (0.40) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL17106746 0.75 POLRMT (0.40) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL21078600 0.75 NT5E (0.39) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL16368344 0.74 P2RX3 (0.64) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL21007986 0.74 P2RX3 (0.64) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL21007988 0.74 P2RX3 (0.64) P2RX3P2RX1P2RX2P2RX4RNASEL
SCHEMBL17378532 0.74 P2RX3 (0.64) P2RX3P2RX1P2RX2P2RX4RNASEL

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B P2RX3 140/4885P2RX1 119/4885P2RX2 172/4885

“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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