SCHEMBL2060460

SCHEMBL2060460

CCOC(=O)Cc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 3/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
HSD17B10 Q99714 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TLR7 Q9NYK1 10/20 0.46
GLA P06280 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2060478 0.90 TLR7 (0.53) TSHRTLR7MAPK1NPSR1LMNA
SCHEMBL2060623 0.90 TLR7 (0.49) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL2060217 0.89 TLR7 (0.45) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL2060248 0.88 TLR7 (0.42) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL2060432 0.86 TSHR (0.46) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL2060226 0.85 TLR7 (0.43) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL2060784 0.83 TLR7 (0.54) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL10174942 0.83 TLR7 (0.49) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL27616931 0.83 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL2060142 0.82 ABCB1 (0.56) ALDH1A1TSHRKDM4EGAAHPGD

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 ALDH1A1 867/4885TSHR 3638/4885KDM4E 2210/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 ALDH1A1 867/4885TSHR 3638/4885KDM4E 2210/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885TSHR 3680/4885KDM4E 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.