SCHEMBL21101449

SCHEMBL21101449

CC(C)OC(=O)[C@H](C)N[PH](=O)OCC(O[C@H](CF)n1cnc2c(N(C)C)nc(N)nc21)[C@H](C)O

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL21101705 0.94
SCHEMBL21101587 0.92
SCHEMBL21101447 0.92
SCHEMBL21101702 0.92 CCNE2 (0.36) CDK2
SCHEMBL21101704 0.92 CCNE2 (0.36) CDK2
SCHEMBL21101807 0.91 CDK1 (0.38) CDK1PRKACACCNA2PRKACGPRKACB
SCHEMBL23094419 0.89 ADORA3 (0.36) CDK1PRKACACCNA2PRKACGPRKACB
SCHEMBL21101445 0.89 ADORA3 (0.36) CDK1PRKACACCNA2PRKACGPRKACB
SCHEMBL21101711 0.84 CCNE2 (0.34) CDK2
SCHEMBL22224853 0.84 CDK1 (0.30) CDK1PRKACACCNA2PRKACGPRKACB

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 CDK1 3678/4885PRKACA 1632/4885CCNA2 2892/4885
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 CDK1 3744/4885PRKACA 1469/4885CCNA2 1772/4885

“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.