SCHEMBL1242020

SCHEMBL1242020

CCCCOc1nc(N)c2[nH]c(=O)n(CCCNCCCN3CCOCC3)c2n1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.88

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
Hydrochloric Acid SCHEMBL1244435 0.99 TLR7 (0.86) TLR7
SCHEMBL9935661 0.91 TLR7 (0.87) TLR7
SCHEMBL18662251 0.88 TLR7 (0.82) TLR7
SCHEMBL1919072 0.87 TLR7 (0.84) TLR7
SCHEMBL1920965 0.86 TLR7 (0.79) TLR7
SCHEMBL1847376 0.86 TLR7 (0.92) TLR7
SCHEMBL1850014 0.86 TLR7 (0.90) TLR7
SCHEMBL1501648 0.85 TLR7 (0.66) TLR7
SCHEMBL1843707 0.85 TLR7 (0.89) TLR7
SCHEMBL567083 0.85 TLR7 (0.98) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865896-B2 Method for preparing adenine compound ASTRAZENECA AKTIEBOLAG (SE) 2014-10-21 US claimed
US-8865896-B2 Method for preparing adenine compound ASTRAZENECA AKTIEBOLAG (SE) 2014-10-21 US disclosed
US-8865896-B2 Method for preparing adenine compound ASTRAZENECA AKTIEBOLAG (SE) 2014-10-21 US disclosed
EP-2121693-B1 8-OXOADENINE DERIVATIVES AS IMMUNO-MODULATORS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-8067411-B2 Compounds ASTRAZENECA AB (SE) 2011-11-29 US disclosed
US-20110054168-A1 METHOD FOR PREPARING ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-03 US disclosed
US-20110046369-A1 METHOD FOR PREPARING ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-24 US disclosed
US-20110046369-A1 METHOD FOR PREPARING ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-24 US disclosed
EP-2246353-A1 METHOD FOR PRODUCING ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-11-03 EP disclosed
EP-2246353-A1 METHOD FOR PRODUCING ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-11-03 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-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 (3 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 3711/4885
US-20110054168-A1 METHOD FOR PREPARING ADENINE COMPOUND ADORA3, ADORA1, NNMT TLR7 336/4885
US-20110046369-A1 METHOD FOR PREPARING ADENINE COMPOUND AMPD2, APRT, PARP2 TLR7 368/4885

“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.