SCHEMBL21136121

SCHEMBL21136121

CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.54
▸ P2RY2 P41231 2/20 0.53
▸ P2RY4 P51582 1/20 0.53
▸ P2RY1 P47900 4/20 0.49
▸ P2RX3 P56373 4/20 0.49
▸ P2RX1 P51575 3/20 0.49
▸ ENPP1 P22413 2/20 0.49
▸ P2RX4 Q99571 2/20 0.49
▸ P2RY6 Q15077 1/20 0.49
▸ P2RY11 Q96G91 1/20 0.49
▸ P2RY12 Q9H244 1/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ RNASEL Q05823 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ P2RX2 Q9UBL9 2/20 0.46

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
SCHEMBL21136119 0.99 GPR17 (0.53) GPR17P2RY2P2RY4P2RY1P2RX3
SCHEMBL21136135 0.92 P2RY1 (0.52) P2RY1ADORA1ADORA3ADORA2AADORA2B
At-9010 SCHEMBL18067079 0.91 GPR17 (0.52) GPR17P2RY2P2RY1P2RX3P2RX1
At-9010 SCHEMBL25844490 0.91 GPR17 (0.52) GPR17P2RY2P2RY1P2RX3P2RX1
SCHEMBL21136514 0.91 ADORA1 (0.54) GPR17P2RY2P2RY4ADORA1ADORA3
SCHEMBL18067078 0.90 GPR17 (0.51) GPR17P2RY2P2RY1P2RX3P2RX1
SCHEMBL15910311 0.90 P2RX3 (0.57) GPR17P2RY2P2RY4P2RY1P2RX3
SCHEMBL13976355 0.90 P2RX3 (0.57) GPR17P2RY2P2RY4P2RY1P2RX3
SCHEMBL15908464 0.90 P2RX3 (0.57) GPR17P2RY2P2RY4P2RY1P2RX3
SCHEMBL21136517 0.90 ADORA1 (0.55) GPR17P2RY2P2RY4ADORA1ADORA3

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-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment Atea Pharmaceuticals, Inc. (US) 2021-03-16 — — US disclosed
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2019-07-04 — — 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-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment NSUN2, ADAR, NSUN3 GPR17 1499/4885P2RY2 175/4885P2RY4 138/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 GPR17 1370/4885P2RY2 186/4885P2RY4 139/4885

“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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