SCHEMBL19993815

SCHEMBL19993815

CO[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@](C)(O)n1cnc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.54
ENPP3 O14638 1/20 0.52
P2RX1 P51575 3/20 0.45
P2RX3 P56373 3/20 0.45
P2RX2 Q9UBL9 2/20 0.45
P2RY2 P41231 5/20 0.45
P2RY1 P47900 5/20 0.45
P2RY11 Q96G91 1/20 0.45
P2RX4 Q99571 2/20 0.42
RNASEL Q05823 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ENTPD1 P49961 1/20 0.41

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
SCHEMBL25564637 0.89 ENPP1 (0.50) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL23171493 0.88 ENPP1 (0.49) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL19050103 0.85 ENPP1 (0.41) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL19536267 0.85 ENPP1 (0.41) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL19993770 0.80 ENPP1 (0.50) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL20052484 0.80 PI4KA (0.52)
SCHEMBL17384900 0.76 ENPP1 (0.47) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL24371621 0.76 POLG (0.38) ENPP1ENPP3P2RY2ENTPD1
SCHEMBL19050058 0.76 XDH (0.35) P2RY2P2RY1P2RY11SRCSMN1; SMN2
SCHEMBL23225617 0.75 ENPP1 (0.39) ENPP1ENPP3P2RX1P2RX3P2RX2

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 2 patents. 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
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 (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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ENPP1 74/4885ENPP3 85/4885P2RX1 79/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ENPP1 44/4885ENPP3 58/4885P2RX1 140/4885

“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.