SCHEMBL984944

SCHEMBL984944

Nc1ncnc2c1ncn2CCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA1 P30542 4/20 1.00
ADORA2B P29275 1/20 0.71
ADCY1 Q08828 1/20 0.66
PI4KA P42356 2/20 0.65
PI4K2B Q8TCG2 2/20 0.65
PI4K2A Q9BTU6 2/20 0.65
PI4KB Q9UBF8 2/20 0.65
AHCY P23526 7/20 0.63
ADCY5 O95622 1/20 0.59

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
SCHEMBL29459142 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY1PI4KA
Hydrochloric Acid SCHEMBL9193028 0.98 ADORA2A (0.97) ADORA2AADORA1ADORA2BADCY1PI4KA
SCHEMBL1635576 0.90 ADORA2A (1.00) ADORA2AADORA1ADORA2BADCY1PI4KA
SCHEMBL11222112 0.89 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19553487 0.89 ADORA2A (0.91) ADORA2AADORA1ADORA2BADCY1PI4KA
SCHEMBL8467390 0.87 ADORA2A (0.88) ADORA2AADORA1ADORA2BADCY1PI4KA
SCHEMBL1871838 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.84 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5033136 0.84 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11487766 0.84 ADORA2A (0.71) ADORA2AADORA1ADORA2BADCY1PI4KA

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 313 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4560315-A2 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP claimed
EP-3980554-B1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES HOFFMANN LA ROCHE (CH) 2025-03-26 EP claimed
CN-116854772-A Analogue of endomorphin and adenine conjugated peptide with analgesic activity and synthesis method thereof 中国人民解放军空军军医大学 2023-10-10 CN claimed
US-20220195497-A1 HYBRIDIZING all-LNA OLIGONUCLEOTIDES ROCHE DIAGNOSTICS OPERATIONS, INC. 2022-06-23 US claimed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 EP claimed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 WO claimed
EP-2682397-B1 Prodrugs of phosphonate nucleotide analogues and methods for selecting and making same GILEAD SCIENCES INC (US) 2017-04-19 EP claimed
CN-106105477-A A kind of quick pregermination method of Semen Maydis 安徽省固镇县谷阳有机蔬菜专业合作社 2016-11-16 CN claimed
EP-1572095-B1 BETA-L-2'-DEOXYNUCLEOSIDES FOR USE IN THE TREATMENT OF RESISTANT HBV STRAINS NOVARTIS AG (CH) 2015-06-10 EP claimed
US-20040018150-A1 Prodrugs of phosphonate nucleotide analogues and methods for selecting and making same BECKER MARK W (US) 2004-01-29 US claimed
US-20030219727-A1 Prodrugs of phosphonate nucleotide analogues BECKER MARK W (US) 2003-11-27 US claimed
EP-1301519-A2 PRODRUGS OF PHOSPHONATE NUCLEOTIDE ANALOGUES AND METHODS FOR SELECTING AND MAKING SAME GILEAD SCIENCES, INC. (US) 2003-04-16 EP claimed
EP-1256585-A1 Process fot preparing 9-(2-(diethylphosphonomethoxy)ethyl)-adenine GILEAD SCIENCES, INC. (US) 2002-11-13 EP claimed
US-6451340-B1 CRYSTALLINE ADEFOVIR DIPIVOXIL GILEAD SCIENCES, INC. 2002-09-17 US claimed
US-20020119443-A1 Prodrugs of phosphonate nucleotide analogues and methods for selecting and making same GILEAD SCIENCES, INC. 2002-08-29 US claimed
US-20020045599-A1 Nucleotide analog compositions GILEAD SCIENCES, INC. 2002-04-18 US claimed
WO-2002008241-A2 PRODRUGS OF PHOSPHONATE NUCLEOTIDE ANALOGUES AND METHODS FOR SELECTING AND MAKING SAME GILEAD SCIENCES, INC. (US) 2002-01-31 WO claimed
EP-0996430-A2 NUCLEOTIDE ANALOG COMPOSITIONS GILEAD SCIENCES, INC. (US) 2000-05-03 EP claimed
WO-1999004774-A2 NUCLEOTIDE ANALOG COMPOSITIONS GILEAD SCIENCES, INC. (US) 1999-02-04 WO claimed

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-20040018150-A1 Prodrugs of phosphonate nucleotide analogues and methods for selecting and making same PNP, PNPO, MTAP ADORA2A 103/4885ADORA1 133/4885ADORA2B 229/4885
US-20020045599-A1 Nucleotide analog compositions NUDT1, PNP, TYMP ADORA2A 125/4885ADORA1 44/4885ADORA2B 217/4885

“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.