SCHEMBL21136167

SCHEMBL21136167

CN(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.59
▸ P2RX1 P51575 3/20 0.59
▸ P2RX3 P56373 3/20 0.59
▸ ENPP1 P22413 2/20 0.59
▸ P2RX4 Q99571 2/20 0.59
▸ P2RY11 Q96G91 2/20 0.59
▸ P2RY6 Q15077 1/20 0.59
▸ P2RY12 Q9H244 2/20 0.57
▸ RNASEL Q05823 2/20 0.56
▸ P2RX2 Q9UBL9 2/20 0.55
▸ NT5E P21589 4/20 0.55
▸ P2RY2 P41231 2/20 0.53
▸ SRC P12931 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GPR17 Q13304 2/20 0.52
▸ IMPDH2 P12268 1/20 0.52

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
SCHEMBL21136284 1.00 P2RY1 (0.59) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL21136283 0.99 P2RY1 (0.58) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL21136168 0.99 P2RY1 (0.58) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL21136516 0.92 NT5E (0.59) P2RY1P2RY11RNASELNT5EP2RY2
SCHEMBL21136526 0.92 NT5E (0.59) P2RY1P2RY11RNASELNT5EP2RY2
SCHEMBL21136888 0.91 NT5E (0.64) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL21136126 0.91 NT5E (0.64) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL21137138 0.91 NT5E (0.65) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL21136498 0.91 NT5E (0.65) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL22224584 0.89 P2RY1 (0.68) P2RY1P2RX1P2RX3ENPP1P2RX4

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 P2RY1 147/4885P2RX1 205/4885P2RX3 199/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 P2RY1 144/4885P2RX1 208/4885P2RX3 204/4885

“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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