SCHEMBL21101708

SCHEMBL21101708

C#C[C@H](O)C(CO[PH](=O)N[C@@H](C)C(=O)OC(C)C)O[C@H](CF)n1cnc2c(NC)nc(N)nc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2B P29275 1/20 0.34
CDK1 P06493 1/20 0.33
PRKACA P17612 1/20 0.33
CCNA2 P20248 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNA1 P78396 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 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
SCHEMBL21101445 0.92 ADORA3 (0.36) ADORA3ADORA1ADORA2BCDK1PRKACA
SCHEMBL23094419 0.92 ADORA3 (0.36) ADORA3ADORA1ADORA2BCDK1PRKACA
SCHEMBL21101587 0.90
SCHEMBL21101711 0.86 CCNE2 (0.34) CDK2
SCHEMBL21101807 0.84 CDK1 (0.38) CDK1PRKACACCNA2PRKACGPRKACB
SCHEMBL29324264 0.83 ADORA3 (0.38) ADORA3ADORA1ADORA2BCDK1PRKACA
SCHEMBL23761053 0.83 ADORA3 (0.38) ADORA3ADORA1ADORA2BCDK1PRKACA
SCHEMBL21101449 0.81 CDK1 (0.30) CDK1PRKACACCNA2PRKACGPRKACB
SCHEMBL24939897 0.81 CDK1 (0.38) ADORA3ADORA1ADORA2BCDK1PRKACA
SCHEMBL19644850 0.81 ADORA3 (0.38) ADORA3ADORA1ADORA2BCDK1PRKACA

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-10815266-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2020-10-27 US disclosed
US-20190177356-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. (US) 2019-06-13 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-10815266-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 ADORA3 56/4885ADORA1 65/4885ADORA2B 42/4885
US-20190177356-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'-BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT NSUN2, NUDT1, DCTD ADORA3 69/4885ADORA1 79/4885ADORA2B 45/4885

“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.