SCHEMBL22224971

SCHEMBL22224971

CNc1nc(N)nc2c1ncn2[C@](C)(F)[C@H](O)[C@@H](CO[PH](=O)N[C@H](C)C(=O)OC(C)C)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.36
ADORA1 P30542 10/20 0.36
ADORA2B P29275 8/20 0.36
ADORA2A P29274 4/20 0.32
CDK1 P06493 1/20 0.30
PRKACA P17612 1/20 0.30
CCNA2 P20248 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
CDK2 P24941 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL22224583 1.00 ADORA3 (0.36) ADORA3ADORA1ADORA2BADORA2ACDK1
SCHEMBL20272115 1.00 ADORA3 (0.36) ADORA3ADORA1ADORA2BADORA2ACDK1
SCHEMBL22889510 0.91 ADORA3 (0.34) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22889172 0.89
SCHEMBL22889473 0.87
SCHEMBL22889225 0.85 CCNE2 (0.31) CDK2
SCHEMBL22889469 0.84 ADORA3 (0.34) ADORA3ADORA1ADORA2BCDK1PRKACA
SCHEMBL19833093 0.84 ADORA3 (0.38) ADORA3ADORA1ADORA2BADORA2ACDK1
SCHEMBL19644850 0.84 ADORA3 (0.38) ADORA3ADORA1ADORA2BADORA2ACDK1
SCHEMBL23761053 0.80 ADORA3 (0.38) ADORA3ADORA1ADORA2BADORA2ACDK1

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-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2023-01-19 US disclosed
US-20200222442-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2020-07-16 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-20200222442-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 ADORA3 59/4885ADORA1 115/4885ADORA2B 84/4885
US-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 ADORA3 59/4885ADORA1 115/4885ADORA2B 84/4885

“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.