SCHEMBL2060294

SCHEMBL2060294

CCCCOc1nc(N)c2ncn(Cc3ccc(OC(C)=O)cc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TLR7 Q9NYK1 12/20 0.47
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
CYP3A4 P08684 2/20 0.43

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
SCHEMBL24366542 0.87 TLR7 (0.62) TLR7
SCHEMBL2060324 0.86 TLR7 (0.51) TLR7ADORA2AADORA2BCYP3A4
SCHEMBL19539670 0.85 TLR7 (0.64) TLR7
SCHEMBL2060298 0.84 TLR7 (0.47) TLR7
SCHEMBL7204649 0.84 TLR7 (0.64) TLR7ADORA2A
SCHEMBL22347140 0.83 TLR7 (0.50) TLR7ADORA2AADORA2BCYP3A4
SCHEMBL30503503 0.83 TLR7 (0.50) TLR7ADORA2AADORA2BCYP3A4
SCHEMBL2060191 0.82 TLR7 (0.55) TLR7
SCHEMBL4133313 0.82 TLR7 (0.57) TLR7
SCHEMBL25511867 0.82 MEN1 (0.51) TLR7ADORA2A

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 11 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-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP 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 (4 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 ALDH1A1 867/4885SMN1; SMN2 4588/4885TLR7 265/4885
US-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 ALDH1A1 1017/4885SMN1; SMN2 2126/4885TLR7 1/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 ALDH1A1 867/4885SMN1; SMN2 4588/4885TLR7 265/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885SMN1; SMN2 4605/4885TLR7 252/4885

“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.