SCHEMBL16769784

SCHEMBL16769784

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@]2(F)Cl)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADORA2A P29274 2/20 0.48
▸ HINT1 P49773 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ PNP P00491 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ STING1 Q86WV6 2/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TGM2 P21980 1/20 0.43

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
SCHEMBL16777461 1.00 HPGD (0.50) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL14842252 0.91 ADORA2A (0.52) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL16777405 0.90 HPGD (0.52) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL5203956 0.90 PDE4D (0.53) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL313652 0.90 PDE4D (0.53) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL4844756 0.89 ADORA3 (0.51) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL546453 0.89 ADORA3 (0.51) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL18636455 0.88 HPGD (0.49) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL25380147 0.88 ADORA2A (0.51) HPGDADORA3ADORA2AHINT1NT5E
SCHEMBL13929032 0.88 ADORA2A (0.51) HPGDADORA3ADORA2AHINT1NT5E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234499-A 2 '-Chloro-2' -fluoro-N for use in flavivirus therapy2-Amino-N6Methylaminopurine nucleotides 阿堤亚制药公司 2024-06-21 — — CN disclosed
US-10030044-B2 Nucleotides for the treatment of liver cancer IDENIX PHARMACEUTICALS LLC (US) 2018-07-24 — — US disclosed
US-10030044-B2 Nucleotides for the treatment of liver cancer IDENIX PHARMACEUTICALS LLC (US) 2018-07-24 — — US disclosed
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-07-13 — — US disclosed
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-07-13 — — US disclosed
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 — — US disclosed
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 — — US disclosed
WO-2015081133-A2 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS, INC. (US) 2015-06-04 — — WO disclosed
WO-2015081297-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS, INC. (US) 2015-06-04 — — WO 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 (3 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-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER RNMT, NUDT1, NTPCR HPGD 2319/4885ADORA3 4/4885ADORA2A 14/4885
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION HAVCR2, SLC29A2, SLC28A2 HPGD 4023/4885ADORA3 493/4885ADORA2A 223/4885
US-10030044-B2 Nucleotides for the treatment of liver cancer RNMT, NUDT1, NTPCR HPGD 2319/4885ADORA3 4/4885ADORA2A 14/4885

“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.

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