SCHEMBL10121592

SCHEMBL10121592

COc1nc2c(N)nc(C)nc2n1C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 14/20 0.46
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
PI4KA P42356 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ADCY1 Q08828 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
YTHDC1 Q96MU7 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL13811521 0.87 PDE8B (0.38) PDE8BGAAMAPK1HSD17B10ALDH1A1
SCHEMBL12028109 0.87 YTHDC1 (0.42) PDE8BGAATP53CYP2C9NFKB1
SCHEMBL13851273 0.85 YTHDC1 (0.36) PDE8BYTHDC1CYP2C19CRHR1
SCHEMBL566799 0.84 ADORA2A (0.40) PDE8BGAATP53CYP2C9NFKB1
SCHEMBL10057869 0.83 ADORA2A (0.37) PDE8BYTHDC1
SCHEMBL20701954 0.83 ADORA2A (0.36) PDE8BGAATP53CYP2C9NFKB1
SCHEMBL12869254 0.83 PDE8B (0.37) PDE8BGAAMAPK1HSD17B10ALDH1A1
SCHEMBL565826 0.83 ADORA2A (0.36) PDE8BGAATP53CYP2C9NFKB1
SCHEMBL566157 0.83 ADORA2A (0.41) PDE8BGAATP53CYP2C9NFKB1
SCHEMBL567125 0.83 ADORA2A (0.39) PDE8BGAATP53CYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9233962-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2016-01-12 US disclosed
US-9161934-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. 2015-05-07 US disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-8962652-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-02-24 US disclosed
US-20140336175-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2014-11-13 US disclosed
US-20120308609-A1 6-AMINO-2--9-[5-(1-PIPERIDINYL)-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE GLAXOSMITHKLINE LLC (US) 2012-12-06 US disclosed
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-02-09 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 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-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100075995-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-25 US disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP 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 (12 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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND IFNAR1, IL5, IFNG PDE8B 2803/4885GAA 2597/4885TP53 4535/4885
US-20140336175-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 PDE8B 514/4885GAA 1848/4885TP53 978/4885
US-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 PDE8B 2881/4885GAA 4369/4885TP53 4392/4885
US-20110229500-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 PDE8B 514/4885GAA 1848/4885TP53 978/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 PDE8B 1270/4885GAA 2861/4885TP53 668/4885
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNG, IFNAR1, STING1 PDE8B 706/4885GAA 2654/4885TP53 927/4885
US-20120308609-A1 6-AMINO-2--9-[5-(1-PIPERIDINYL)-7,9-DIHYDRO-8H-PURIN-8-ONE MALEATE TLR8, TLR7, TLR9 PDE8B 1219/4885GAA 3719/4885TP53 557/4885
US-20120035193-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 PDE8B 595/4885GAA 3721/4885TP53 651/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 PDE8B 595/4885GAA 3721/4885TP53 651/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 PDE8B 1693/4885GAA 1894/4885TP53 300/4885
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT PDE8B 798/4885GAA 1044/4885TP53 461/4885
US-20160228445-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 PDE8B 595/4885GAA 3721/4885TP53 651/4885

“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.