SCHEMBL10121687

SCHEMBL10121687

CCC[C@@H](C)Nc1nc(N)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.48
PI4KA P42356 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
ADCY1 Q08828 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
YTHDC1 Q96MU7 1/20 0.48
FLT3 P36888 3/20 0.47
CYP2C19 P33261 1/20 0.43
ADORA2A P29274 8/20 0.42
ADORA3 P0DMS8 4/20 0.42

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
SCHEMBL10121703 1.00 TP53 (0.48) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL17635616 1.00 TP53 (0.48) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL3125120 0.84 TP53 (0.50) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL12157544 0.81 TP53 (0.49) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL566598 0.80 ADORA2A (0.48) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL1851384 0.80 ADORA2A (0.48) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL2197022 0.80 ADORA2A (0.48) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL29697253 0.80 ADORA2A (0.48) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL1848717 0.80 ADORA2A (0.35) MEN1KMT2AFLT3ADORA2AADORA3
SCHEMBL16882930 0.80 ADORA2A (0.35) MEN1KMT2AFLT3ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-9877968-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-9877968-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2016-08-11 US disclosed
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2016-08-11 US disclosed
US-9346806-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2016-05-24 US disclosed
US-8765772-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
US-8765772-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2014-07-01 US disclosed
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-02-09 US disclosed
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-02-09 US disclosed
US-8067426-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2011-11-29 US disclosed
US-8067426-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2011-11-29 US disclosed
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-09-22 US disclosed
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-09-22 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 TP53 978/4885CYP2C9 465/4885NFKB1 352/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TP53 651/4885CYP2C9 3044/4885NFKB1 298/4885
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TP53 651/4885CYP2C9 3044/4885NFKB1 298/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TP53 651/4885CYP2C9 3044/4885NFKB1 298/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 TP53 300/4885CYP2C9 205/4885NFKB1 137/4885
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TP53 651/4885CYP2C9 3044/4885NFKB1 298/4885

“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.