SCHEMBL21136498

SCHEMBL21136498

CN(c1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]1F)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 9/20 0.65
▸ P2RY1 P47900 3/20 0.54
▸ ENPP1 P22413 2/20 0.54
▸ P2RY12 Q9H244 2/20 0.54
▸ P2RX1 P51575 2/20 0.54
▸ P2RX3 P56373 2/20 0.54
▸ P2RY6 Q15077 1/20 0.54
▸ P2RY11 Q96G91 1/20 0.54
▸ P2RX4 Q99571 1/20 0.54
▸ RNASEL Q05823 1/20 0.51
▸ P2RX2 Q9UBL9 1/20 0.51
▸ IMPDH2 P12268 1/20 0.48
▸ GPR17 Q13304 1/20 0.48

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
SCHEMBL21137138 1.00 NT5E (0.65) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21136888 0.99 NT5E (0.64) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21136126 0.99 NT5E (0.64) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21136500 0.94 NT5E (0.68) NT5EP2RY1P2RY11RNASELIMPDH2
SCHEMBL21137137 0.94 NT5E (0.68) NT5EP2RY1P2RY11RNASELIMPDH2
SCHEMBL21136499 0.92 NT5E (0.55) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21136168 0.91 P2RY1 (0.58) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21136283 0.91 P2RY1 (0.58) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21137143 0.91 P2RY1 (0.56) NT5EP2RY1ENPP1P2RY12P2RX1
SCHEMBL21136167 0.91 P2RY1 (0.59) NT5EP2RY1ENPP1P2RY12P2RX1

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 NT5E 90/4885P2RY1 147/4885ENPP1 256/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 NT5E 92/4885P2RY1 144/4885ENPP1 247/4885

“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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