SCHEMBL2060897

SCHEMBL2060897

CCOC(=O)CC(=O)CSc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 2/20 0.48
ABCB1 P08183 2/20 0.48
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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 0.92 ABCB1 (0.56) TP53ALDH1A1HSD17B10MAPK1ABCB1
SCHEMBL2060427 0.87 KDM4E (0.52) ALDH1A1HSD17B10MAPK1ABCB1HPGD
SCHEMBL2060381 0.86 CPB1 (0.48) LMNAALDH1A1HSD17B10ABCB1HPGD
SCHEMBL2060499 0.85 KDM4E (0.47) ALDH1A1HSD17B10MAPK1ABCB1HPGD
SCHEMBL2060363 0.84 KDM4E (0.46) ALDH1A1HSD17B10MAPK1ABCB1HPGD
SCHEMBL2060287 0.84 TLR7 (0.44) ALDH1A1HSD17B10MAPK1ABCB1HPGD
SCHEMBL2060168 0.84 L3MBTL1 (0.45) ALDH1A1HSD17B10MAPK1ABCB1HPGD
SCHEMBL7206750 0.83 CXCL12 (0.45) ALDH1A1HSD17B10MAPK1HPGDL3MBTL1
SCHEMBL2060503 0.83 SIRT2 (0.44) LMNAALDH1A1HPGDGAAATM
SCHEMBL2060221 0.82 ALDH1A1 (0.50) LMNAALDH1A1HSD17B10ABCB1HPGD

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 TP53 3725/4885THRB 3259/4885LMNA 4385/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 TP53 3725/4885THRB 3259/4885LMNA 4385/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TP53 3843/4885THRB 3314/4885LMNA 4453/4885

“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.