SCHEMBL2060686

SCHEMBL2060686

Nc1nc(SCC(=O)OCC(F)F)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 3/20 0.35

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
SCHEMBL2060168 0.88 L3MBTL1 (0.45) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2060601 0.88 ABCB1 (0.42) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2060142 0.87 ABCB1 (0.56) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2060531 0.87 ABCB1 (0.41) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2060381 0.85 CPB1 (0.48) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2060221 0.85 ALDH1A1 (0.50) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2060497 0.85 ABCB1 (0.41) ABCB1ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7206750 0.84 CXCL12 (0.45) ALDH1A1L3MBTL1KDM4EHPGDTSHR
SCHEMBL7206028 0.83 HSD17B10 (0.47) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL2060280 0.83 ABCB1 (0.41) ABCB1ALDH1A1L3MBTL1KDM4EHPGD

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 ABCB1 158/4885ALDH1A1 867/4885L3MBTL1 4556/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 ABCB1 158/4885ALDH1A1 867/4885L3MBTL1 4556/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ABCB1 258/4885ALDH1A1 875/4885L3MBTL1 4411/4885

“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.