SCHEMBL2060168

SCHEMBL2060168

Nc1nc(SCC(=O)OCc2ccccc2)nc2c1nc(O)n2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ABCB1 P08183 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 3/20 0.42
CDC25B P30305 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 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
SCHEMBL2060142 0.91 ABCB1 (0.56) L3MBTL1ABCB1SMN1; SMN2TSHRHPGD
SCHEMBL2060601 0.89 ABCB1 (0.42) L3MBTL1ABCB1SMN1; SMN2TSHRHPGD
SCHEMBL2060381 0.89 CPB1 (0.48) L3MBTL1ABCB1SMN1; SMN2POLBTSHR
SCHEMBL2060221 0.88 ALDH1A1 (0.50) L3MBTL1ABCB1SMN1; SMN2TSHRHPGD
SCHEMBL2060531 0.88 ABCB1 (0.41) L3MBTL1ABCB1SMN1; SMN2TSHRHPGD
SCHEMBL2060497 0.88 ABCB1 (0.41) L3MBTL1ABCB1SMN1; SMN2TSHRHPGD
SCHEMBL2060686 0.88 ABCB1 (0.41) L3MBTL1ABCB1SMN1; SMN2POLBTSHR
SCHEMBL7206750 0.87 CXCL12 (0.45) L3MBTL1SMN1; SMN2TSHRHPGDMAPK1
SCHEMBL7206028 0.86 HSD17B10 (0.47) L3MBTL1POLBTSHRMAPK1ALDH1A1
SCHEMBL2060280 0.86 ABCB1 (0.41) L3MBTL1ABCB1SMN1; SMN2TSHRHPGD

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 L3MBTL1 4556/4885ABCB1 158/4885SMN1; SMN2 4588/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 L3MBTL1 4556/4885ABCB1 158/4885SMN1; SMN2 4588/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 L3MBTL1 4411/4885ABCB1 258/4885SMN1; SMN2 4605/4885

“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.