SCHEMBL2060076

SCHEMBL2060076

Nc1nc(CCC(=O)O)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
HTT P42858 1/20 0.41
ADORA2B P29275 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PNP P00491 1/20 0.39
CSNK2A1 P68400 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10174472 0.91 TLR7 (0.39) TLR7LMNAKDM4EALDH1A1ADORA2A
SCHEMBL5472433 0.89 TLR7 (0.40) TLR7LMNAKDM4EALDH1A1ADORA2A
SCHEMBL2060226 0.88 TLR7 (0.43) TLR7KDM4EALDH1A1ADORA2AADORA1
SCHEMBL2060646 0.88 TLR7 (0.48) TLR7KDM4EALDH1A1ADORA2AADORA1
SCHEMBL14983804 0.87 TLR7 (0.48) TLR7KDM4EALDH1A1ADORA2AADORA1
SCHEMBL14983805 0.87 TLR7 (0.46) TLR7KDM4EALDH1A1ADORA2AADORA1
SCHEMBL7209547 0.87 TLR7 (0.46) TLR7KDM4EALDH1A1ADORA2AADORA1
SCHEMBL2060623 0.86 TLR7 (0.49) TLR7LMNAKDM4EALDH1A1GAA
SCHEMBL5731164 0.85 TLR7 (0.55) TLR7ADORA2AADORA1ADORA2B
SCHEMBL7209551 0.85 TLR7 (0.48) TLR7ADORA2AADORA1ADORA2BTLR8

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 15 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
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-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-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-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
CN-1684966-A Novel adenine compound and use thereof SUMITOMO PHARMA (JP) 2005-10-19 CN 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 265/4885LMNA 4385/4885KDM4E 2210/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 TLR7 265/4885LMNA 4385/4885KDM4E 2210/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TLR7 252/4885LMNA 4453/4885KDM4E 2025/4885

“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.