SCHEMBL1840587

SCHEMBL1840587

CCCCOc1nc(N)c2[nH]c(=O)n(CCCCC3CCNCC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 1.00
TLR8 Q9NR97 5/20 0.98

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
SCHEMBL1842472 0.99 TLR7 (1.00) TLR7TLR8
SCHEMBL1843781 0.99 TLR7 (1.00) TLR7TLR8
Hydrochloric Acid SCHEMBL1973607 0.98 TLR7 (1.00) TLR7TLR8
SCHEMBL1851551 0.97 TLR7 (1.00) TLR7TLR8
SCHEMBL12592707 0.94 TLR7 (1.00) TLR7TLR8
SCHEMBL2197091 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL1842592 0.89 TLR7 (1.00) TLR7TLR8
SCHEMBL1841966 0.89 TLR7 (0.81) TLR7TLR8
SCHEMBL1843045 0.89 TLR7 (0.81) TLR7TLR8
SCHEMBL1842875 0.89 TLR7 (0.81) TLR7TLR8

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP claimed
US-8563717-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2013-10-22 US claimed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US claimed
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-8563717-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2013-10-22 US disclosed
US-8563717-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2013-10-22 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
EP-2320905-A1 NOVEL ADENINE DERIVATIVES Smithkline Beecham Corporation (US) 2011-05-18 EP disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES 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 (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-20110144136-A1 NOVEL ADENINE DERIVATIVES STING1, IFNG, IFNAR1 TLR7 12/4885TLR8 212/4885
US-20140024664-A1 NOVEL ADENINE DERIVATIVES IFNAR1, STING1, IFNG TLR7 11/4885TLR8 145/4885

“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.