SCHEMBL1848717

SCHEMBL1848717

CCC[C@H](C)Nc1nc(N)c2nc(Br)n(C3CCCCO3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.35
ADORA1 P30542 6/20 0.35
ADORA2B P29275 5/20 0.35
TMIGD3 P0DMS9 3/20 0.35
FLT3 P36888 6/20 0.34
PDE8B O95263 6/20 0.34
ADORA3 P0DMS8 3/20 0.33
AXL P30530 5/20 0.33
TYRO3 Q06418 5/20 0.33
MERTK Q12866 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL16882930 1.00 ADORA2A (0.35) ADORA2AADORA1ADORA2BTMIGD3FLT3
SCHEMBL3378114 1.00 ADORA2A (0.35) ADORA2AADORA1ADORA2BTMIGD3FLT3
SCHEMBL567039 0.87 PDE8B (0.33) FLT3PDE8BAXLTYRO3MERTK
SCHEMBL20275413 0.87 PDE8B (0.33) FLT3PDE8BAXLTYRO3MERTK
SCHEMBL20275410 0.87 PDE8B (0.33) FLT3PDE8BAXLTYRO3MERTK
SCHEMBL566148 0.87 PDE8B (0.33) FLT3PDE8BAXLTYRO3MERTK
SCHEMBL3324519 0.81 ADORA2A (0.45) ADORA2AADORA1ADORA2BTMIGD3FLT3
SCHEMBL30731519 0.81 ADORA2A (0.45) ADORA2AADORA1ADORA2BTMIGD3FLT3
SCHEMBL565796 0.80 TLR7 (0.44) ADORA2AADORA1ADORA2BPDE8BADORA3
SCHEMBL2197707 0.80 TLR7 (0.44) ADORA2AADORA1ADORA2BPDE8BADORA3

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 45 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
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
US-10117873-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-11-06 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-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-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-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 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-2324026-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-05-25 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-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

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 ADORA2A 14/4885ADORA1 9/4885ADORA2B 20/4885
US-20110135671-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNG, IFNAR1, STING1 ADORA2A 16/4885ADORA1 14/4885ADORA2B 24/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 ADORA2A 78/4885ADORA1 32/4885ADORA2B 46/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 ADORA2A 78/4885ADORA1 32/4885ADORA2B 46/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 ADORA2A 78/4885ADORA1 32/4885ADORA2B 46/4885
US-20100075995-A1 COMPOUNDS IFNG, IRF3, IFNAR1 ADORA2A 1039/4885ADORA1 439/4885ADORA2B 631/4885

“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.