SCHEMBL21137196

SCHEMBL21137196

C#C[C@@]1(F)C(O)[C@@H](CO)O[C@H]1n1cnc2c(N(C)C)nc(N)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
CYP2C19 P33261 1/20 0.45
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42
ADA P00813 1/20 0.41
SLC29A1 Q99808 7/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
LMNA P02545 1/20 0.38
NT5E P21589 1/20 0.38
HIF1A Q16665 1/20 0.38
ADORA2B P29275 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
SCHEMBL18061805 1.00 ADORA2A (0.46) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL18061771 1.00 ADORA2A (0.46) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL18061773 0.90 ADORA2A (0.44) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL18061807 0.90 ADORA2A (0.44) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL19644820 0.90 NT5E (0.42) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL19644811 0.89 ADORA2A (0.52) ADORA2AADORA3ADORA1LMNANT5E
SCHEMBL19644812 0.89 ADORA2A (0.41) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL21136341 0.88 ADORA2A (0.44) ADORA2ACYP2C19ADORA3ADORA1ADA
SCHEMBL23760819 0.88 NT5E (0.38) ADORA2ACYP2C19ADORA3ADORA1NT5E
SCHEMBL9569321 0.87 ADORA2A (0.49) ADORA2ACYP2C19ADORA3ADORA1ADA

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 ADORA2A 32/4885CYP2C19 4355/4885ADORA3 67/4885
US-20190201433-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 ADORA2A 31/4885CYP2C19 4370/4885ADORA3 59/4885

“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.