SCHEMBL2060059

SCHEMBL2060059

CCCCNc1nc(N)c2nc(O)n(Cc3cccc(CC(=O)OC)c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.53
TMIGD3 P0DMS9 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45

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
SCHEMBL2060539 0.91 TLR7 (0.52) TLR7TMIGD3ADORA2AADORA2BADORA1
SCHEMBL2060216 0.90 TMIGD3 (0.55) TLR7TMIGD3ADORA2AADORA2BADORA1
SCHEMBL5471545 0.90 TLR7 (0.53) TLR7TMIGD3ADORA2AADORA2BADORA1
SCHEMBL10299403 0.89 TLR7 (0.49) TLR7
SCHEMBL5471380 0.88 TLR7 (0.49) TLR7TMIGD3ADORA2AADORA2BADORA1
SCHEMBL10310084 0.88 TLR7 (0.54) TLR7TMIGD3ADORA2AADORA2BADORA1
SCHEMBL5459700 0.86 TLR7 (0.54) TLR7
SCHEMBL5464705 0.86 TLR7 (0.46) TLR7TMIGD3ADORA2AADORA2BADORA1
SCHEMBL5465156 0.85 TLR7 (0.53) TLR7ADORA2AADORA2BADORA1
SCHEMBL15242267 0.85 TLR7 (0.55) TLR7TMIGD3ADORA2AADORA2BADORA1

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
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP claimed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US claimed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US claimed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 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 (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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 TLR7 265/4885TMIGD3 2633/4885ADORA2A 6/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 TLR7 265/4885TMIGD3 2633/4885ADORA2A 6/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TLR7 252/4885TMIGD3 3551/4885ADORA2A 4/4885

“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.