SCHEMBL2060484

SCHEMBL2060484

COC(=O)C(Cc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 6/20 0.45
HPGD P15428 6/20 0.45
CASP1 P29466 6/20 0.45
CASP7 P55210 6/20 0.45
HSD17B10 Q99714 6/20 0.45
GLA P06280 4/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TLR7 Q9NYK1 10/20 0.43
USP2 O75604 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
PNP P00491 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2060217 0.84 TLR7 (0.45) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL5730984 0.83 TLR7 (0.45) TLR7PNPADORA2A
SCHEMBL2060646 0.82 TLR7 (0.48) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL2060460 0.80 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL2060226 0.80 TLR7 (0.43) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL10174942 0.80 TLR7 (0.49) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL2060432 0.79 TSHR (0.46) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL2060623 0.78 TLR7 (0.49) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL2060517 0.78 TLR7 (0.45) TLR7MAPK1PNPADORA2A
SCHEMBL5731379 0.78 TLR7 (0.45) TLR7MAPK1PNPADORA2A

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 KDM4E 2210/4885ALDH1A1 867/4885GAA 4664/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 KDM4E 2210/4885ALDH1A1 867/4885GAA 4664/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 KDM4E 2025/4885ALDH1A1 875/4885GAA 4572/4885

“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.