SCHEMBL2587945

SCHEMBL2587945

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

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.75
TLR8 Q9NR97 1/20 0.67

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
SCHEMBL3360321 0.92 TLR7 (0.76) TLR7TLR8
SCHEMBL731579 0.91 TLR7 (0.75) TLR7TLR8
SCHEMBL1501487 0.90 TLR7 (0.74) TLR7TLR8
SCHEMBL1850014 0.87 TLR7 (0.90) TLR7TLR8
SCHEMBL1847376 0.87 TLR7 (0.92) TLR7TLR8
SCHEMBL1843707 0.86 TLR7 (0.89) TLR7TLR8
SCHEMBL567197 0.86 TLR7 (0.96) TLR7TLR8
SCHEMBL567085 0.86 TLR7 (1.00) TLR7TLR8
SCHEMBL567083 0.86 TLR7 (0.98) TLR7TLR8
SCHEMBL1846454 0.86 TLR7 (0.88) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132209-B1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS ASTRAZENECA AB (SE) 2014-02-12 EP disclosed
EP-2121693-B1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-8067413-B2 9-substituted-8-oxo-adenine compounds as toll-like receptor (TLR7 ) modulators ASTRAZENECA AB (SE) 2011-11-29 US disclosed
US-8067411-B2 Compounds ASTRAZENECA AB (SE) 2011-11-29 US disclosed
US-20100130491-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS Sumitomo Pharma Co., Ltd. (JP) 2010-05-27 US disclosed
EP-2132209-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2121693-A1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080300244-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-12-04 US disclosed
WO-2008114008-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS ASTRAZENECA AB (SE) 2008-09-25 WO disclosed
WO-2008071976-A1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS ASTRAZENECA AB (SE) 2008-06-19 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-20080300244-A1 NOVEL COMPOUNDS NPY1R, F12, NPY2R TLR7 3711/4885TLR8 4756/4885
US-20100130491-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS TLR9, TLR7, TLR8 TLR7 2/4885TLR8 3/4885

“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.