SCHEMBL23225617

SCHEMBL23225617

C#C[C@@](O)([C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC)n1ccc2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.39
ENPP3 O14638 1/20 0.38
ENTPD1 P49961 2/20 0.36
P2RX1 P51575 2/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 1/20 0.34
P2RY2 P41231 2/20 0.34
P2RY1 P47900 2/20 0.34
P2RY11 Q96G91 1/20 0.34
P2RX4 Q99571 1/20 0.32
RNASEL Q05823 1/20 0.32

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
SCHEMBL19050103 0.88 ENPP1 (0.41) ENPP1ENPP3ENTPD1P2RX1P2RX3
SCHEMBL19536267 0.88 ENPP1 (0.41) ENPP1ENPP3ENTPD1P2RX1P2RX3
SCHEMBL23171493 0.86 ENPP1 (0.49) ENPP1ENPP3ENTPD1P2RX1P2RX3
SCHEMBL23171157 0.82 PRMT5 (0.36)
SCHEMBL19050058 0.80 XDH (0.35) P2RY2P2RY1P2RY11
SCHEMBL18430107 0.78 P2RY2 (0.41) ENPP1P2RY2
SCHEMBL19536264 0.77 ENPP1 (0.31) ENPP1ENPP3
SCHEMBL19993815 0.75 ENPP1 (0.54) ENPP1ENPP3ENTPD1P2RX1P2RX3
SCHEMBL17384903 0.74 ENPP1 (0.37) ENPP1ENPP3ENTPD1P2RX1P2RX3
SCHEMBL25564637 0.73 ENPP1 (0.50) ENPP1ENPP3ENTPD1P2RX1P2RX3

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-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 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-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ENPP1 44/4885ENPP3 58/4885ENTPD1 38/4885

“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.