SCHEMBL21136209

SCHEMBL21136209

C#C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1n1cnc2c(N(C)C)nc(N)nc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NT5E P21589 7/20 0.34
BLM P54132 2/20 0.33
P2RY1 P47900 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RY12 Q9H244 1/20 0.33
PMP22 Q01453 1/20 0.32
CYP2C19 P33261 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL19644803 0.90 NT5E (0.40) CA12CA1CA2CA9NT5E
SCHEMBL18067110 0.90 NT5E (0.40) CA12CA1CA2CA9NT5E
SCHEMBL22224830 0.89 ADORA3 (0.40) CA12CA1CA2CA9NT5E
SCHEMBL20977483 0.86 NT5E (0.43) NT5E
SCHEMBL12150418 0.86 NT5E (0.43) NT5E
SCHEMBL21136511 0.84 CA5A (0.44) NT5EP2RY1
SCHEMBL18061705 0.83 CA12 (0.39) CA12CA1CA2CA9NT5E
SCHEMBL12831829 0.82 NT5E (0.40) NT5E
SCHEMBL21136510 0.82 P2RY1 (0.45) NT5EP2RY1P2RY12ENPP1
SCHEMBL21136278 0.81 P2RX3 (0.46) NT5EP2RY1P2RY12ENPP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2023-01-19 US disclosed
US-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment Atea Pharmaceuticals, Inc. (US) 2021-03-16 US disclosed
US-20200222442-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2020-07-16 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 (4 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-20200222442-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 CA12 4837/4885CA1 4883/4885CA2 4845/4885
US-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment NSUN2, ADAR, NSUN3 CA12 4853/4885CA1 4883/4885CA2 4849/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 CA12 4837/4885CA1 4883/4885CA2 4845/4885
US-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 CA12 4837/4885CA1 4883/4885CA2 4845/4885

“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.