SCHEMBL566733

SCHEMBL566733

Nc1nc(F)nc2c1ncn2C1CCCCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
CYP2C9 P11712 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
APEX1 P27695 1/20 0.61
PI4KA P42356 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
ADCY1 Q08828 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
AHCY P23526 4/20 0.54
YTHDC1 Q96MU7 1/20 0.53
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.47
NT5E P21589 1/20 0.47

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
SCHEMBL31124747 0.87 PI4KA (0.61) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL22833939 0.87 YTHDC1 (0.55) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL17262848 0.87 PI4KA (0.64) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL9885008 0.86 YTHDC1 (0.57) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL10121595 0.85 PI4KA (0.61) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL20275396 0.85 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL935632 0.85 YTHDC1 (0.59) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL29878593 0.85 YTHDC1 (0.59) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL243515 0.85 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL29354479 0.85 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391694-B2 Process for the preparation of 2-fluoroadenine MERCK SHARP & DOHME LLC 2025-08-19 US disclosed
US-20220242866-A1 PROCESS FOR THE PREPARATION OF 2-FLUOROADENINE MERCK SHARP & DOHME CORP. (US) 2022-08-04 US disclosed
EP-3218377-B1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-04-13 EP disclosed
US-10919894-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2021-02-16 US disclosed
WO-2020263660-A1 PROCESS FOR THE PREPARATION OF 2-FLUOROADENINE MERCK SHARP & DOHME CORP. (US) 2020-12-30 WO disclosed
WO-2020263660-A1 PROCESS FOR THE PREPARATION OF 2-FLUOROADENINE MERCK SHARP & DOHME CORP. (US) 2020-12-30 WO disclosed
US-20200223849-A1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2020-07-16 US disclosed
US-10584125-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2020-03-10 US disclosed
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
EP-2324025-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-05-25 EP disclosed
EP-2320905-A1 NOVEL ADENINE DERIVATIVES Smithkline Beecham Corporation (US) 2011-05-18 EP disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
WO-2010018130-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018131-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018133-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (7 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-10584125-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions HRH3, HRH4, HRH1 TP53 2290/4885CYP2C9 1134/4885NFKB1 170/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TP53 651/4885CYP2C9 3044/4885NFKB1 298/4885
US-20200223849-A1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS HRH3, HRH4, HRH1 TP53 2303/4885CYP2C9 1164/4885NFKB1 170/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 TP53 300/4885CYP2C9 205/4885NFKB1 137/4885
US-20220242866-A1 PROCESS FOR THE PREPARATION OF 2-FLUOROADENINE DCTD, AMPD2, CDA TP53 2156/4885CYP2C9 400/4885NFKB1 2611/4885
US-10919894-B2 Adenine derivatives which are useful in the treatment of allergic diseases or other inflammatory conditions HRH3, HRH4, HRH1 TP53 2290/4885CYP2C9 1134/4885NFKB1 170/4885
US-12391694-B2 Process for the preparation of 2-fluoroadenine DCTD, AMPD2, CDA TP53 2156/4885CYP2C9 400/4885NFKB1 2611/4885

“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.