SCHEMBL21136516

SCHEMBL21136516

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 14/20 0.59
▸ CA5A P35218 1/20 0.58
▸ DNPH1 O43598 1/20 0.54
▸ PRKAB2 O43741 1/20 0.54
▸ TRPM2 O94759 1/20 0.54
▸ LDHA P00338 1/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ FBP1 P09467 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ P2RY2 P41231 1/20 0.54
▸ P2RY1 P47900 1/20 0.54
▸ PRKAG1 P54619 1/20 0.54
▸ PRKAA2 P54646 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ PRKAA1 Q13131 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.54

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
SCHEMBL21136526 1.00 NT5E (0.59) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL21136283 0.93 P2RY1 (0.58) NT5ESRCP2RY2P2RY1SMN1; SMN2
SCHEMBL21136168 0.93 P2RY1 (0.58) NT5ESRCP2RY2P2RY1SMN1; SMN2
SCHEMBL21136284 0.92 P2RY1 (0.59) NT5ESRCP2RY2P2RY1SMN1; SMN2
SCHEMBL21136167 0.92 P2RY1 (0.59) NT5ESRCP2RY2P2RY1SMN1; SMN2
SCHEMBL21136500 0.91 NT5E (0.68) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL21137137 0.91 NT5E (0.68) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL24081958 0.87 CA5A (0.54) NT5ECA5ADNPH1PRKAB2TRPM2
SCHEMBL21136490 0.86 NT5E (0.71) NT5ECA5AADORA1
SCHEMBL21136887 0.86 NT5E (0.71) NT5ECA5AADORA1

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 90/4885CA5A 4011/4885DNPH1 2512/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 NT5E 92/4885CA5A 3936/4885DNPH1 2503/4885

“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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