SCHEMBL20724397

SCHEMBL20724397

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 11/20 0.43
▸ P2RY2 P41231 4/20 0.43
▸ P2RX1 P51575 3/20 0.41
▸ P2RX3 P56373 3/20 0.41
▸ ENPP1 P22413 2/20 0.41
▸ P2RY11 Q96G91 2/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ NT5E P21589 3/20 0.41
▸ P2RY12 Q9H244 1/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.38
▸ GPR17 Q13304 1/20 0.37

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
SCHEMBL20724396 0.93 NT5E (0.40) P2RY1NT5E
SCHEMBL19765803 0.92 RNASEL (0.43) P2RY1P2RY2P2RX1P2RX3ENPP1
SCHEMBL19765779 0.91 RNASEL (0.42) P2RY1P2RY2P2RX1P2RX3ENPP1
SCHEMBL20724406 0.88 P2RY1 (0.43) P2RY1P2RY2P2RX1P2RX3ENPP1
SCHEMBL20724608 0.87 CYP2C19 (0.36) NT5E
SCHEMBL19765821 0.84 P2RY1 (0.39) P2RY1NT5ERNASEL
SCHEMBL16368336 0.83 KRAS (0.53) P2RY2P2RY6NT5E
SCHEMBL19986613 0.83 KRAS (0.53) P2RY2P2RY6NT5E
SCHEMBL19765997 0.83 TMIGD3 (0.41) —
SCHEMBL16490110 0.82 P2RX1 (0.57) P2RY1P2RY2P2RX1P2RX3P2RY11

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-10202412-B2 β-D-2′-deoxy-2′-substituted-4′-substituted-2-substituted-N6-substituted-6-aminopurinenucleotides for the treatment of paramyxovirus and orthomyxovirus infections Atea Pharmaceuticals, Inc. (US) 2019-02-12 — — 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-10202412-B2 β-D-2′-deoxy-2′-substituted-4′-substituted-2-substituted-N6-substituted-6-aminopurinenucleotides for the treatment of paramyxovirus and orthomyxovirus infections MTAP, NSUN2, PNP P2RY1 207/4885P2RY2 171/4885P2RX1 127/4885

“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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