SCHEMBL21136264

SCHEMBL21136264

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.54
POLB P06746 1/20 0.53
IMPDH2 P12268 6/20 0.51
TGM2 P21980 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
IMPDH1 P20839 2/20 0.49
KRAS P01116 7/20 0.47
FUT5 Q11128 1/20 0.46
P2RY2 P41231 1/20 0.46
P2RY4 P51582 1/20 0.46
P2RY6 Q15077 1/20 0.46

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
SCHEMBL19822457 1.00 NT5E (0.54) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL22224707 0.94 TGM2 (0.56) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL22224710 0.93 TGM2 (0.55) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL16023834 0.93 TGM2 (0.55) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL12151899 0.93 TGM2 (0.55) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL12150020 0.93 TGM2 (0.55) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL1376829 0.89 NT5E (0.48) NT5EPOLBTGM2KRASFUT5
SCHEMBL15045985 0.89 HINT1 (0.48) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL4409827 0.88 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL15045974 0.87 HINT1 (0.49) NT5EPOLBTGM2FUT5

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 5 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
EP-3865136-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR CORONA VIRUS TREATMENT ATEA Pharmaceuticals, Inc. (US) 2021-08-18 EP 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 NT5E 92/4885POLB 330/4885IMPDH2 150/4885
US-10946033-B2 2′-substituted-N6-substituted purine nucleotides for RNA virus treatment NSUN2, ADAR, NSUN3 NT5E 90/4885POLB 333/4885IMPDH2 152/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 NT5E 92/4885POLB 330/4885IMPDH2 150/4885
US-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 NT5E 92/4885POLB 330/4885IMPDH2 150/4885

“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.