SCHEMBL2060285

SCHEMBL2060285

Cc1ccc(Cn2cnc3c(N)nc(OCCO)nc32)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.46
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4129354 0.85 TLR7 (0.50) TLR7ADORA2AADORA2B
SCHEMBL7208702 0.83 PDE4A (0.58) TLR7ADORA2AADORA2BPDE4APDE4B
SCHEMBL2060082 0.83 TLR7 (0.52) TLR7
SCHEMBL2060338 0.82 TLR7 (0.52) TLR7
SCHEMBL2060193 0.81 TLR7 (0.51) TLR7
SCHEMBL4135725 0.81 TLR7 (0.50) TLR7ADORA2AADORA2B
SCHEMBL4127024 0.80 TLR7 (0.49) TLR7ADORA2AADORA2B
SCHEMBL2060288 0.80 CDK1 (0.58) TLR7ADORA2AADORA2B
SCHEMBL2060105 0.79 PDE8A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL20756629 0.78 TLR7 (0.43) TLR7ADORA2AADORA2BPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 265/4885ADORA2A 6/4885ADORA2B 29/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 TLR7 265/4885ADORA2A 6/4885ADORA2B 29/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TLR7 252/4885ADORA2A 4/4885ADORA2B 17/4885

“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.