SCHEMBL6039302

SCHEMBL6039302

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3c(NC(=O)C(C)C)nc4c(O)ncnc43)C[C@@H]2O)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC28A2 O43868 4/20 0.33
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
TYMP P19971 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ADK P55263 1/20 0.30
HSPA5 P11021 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL6039053 0.84 TYMP (0.44) SLC28A2GSK3BCDK5CDK5R1TYMP
SCHEMBL15954506 0.79 TYMP (0.40) TYMPADORA2AADORA2BADORA3
SCHEMBL7534659 0.78 KDM4E (0.49) TYMPALDH1A1
SCHEMBL2113125 0.78 KDM4E (0.49) TYMPALDH1A1
SCHEMBL2113460 0.76 POLB (0.41) TYMPALDH1A1ADORA3
SCHEMBL7596995 0.75 ADORA1 (0.36) ADORA2AADORA2BADORA3
SCHEMBL888001 0.74 ADORA3 (0.45) ADORA2AADORA2BADORA3
SCHEMBL1499972 0.72 ADORA1 (0.47) TYMP
SCHEMBL14556178 0.72 TYMP (0.39) TYMPADORA2AADORA2BADORA3
SCHEMBL2112347 0.72 ADORA3 (0.47) ADORA2AADORA2BADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060008813-A1 Compositions and methods of synthesis and use of novel nucleic acid structures ERITJA RAMON 2006-01-12 US disclosed
US-6831072-B2 Such as 8-amino-2'deoxyadenosine by treating 8-azido-2'deoxyadenosine with aqueous solution of methylamine or dimethylamine; for targeting nucleic acids without amplification and less use of enzymes CYGENE, INC. 2004-12-14 US disclosed
US-20030135040-A1 Compositions and methods of synthesis and use of novel nucleic acid structures CYGENE, INC. 2003-07-17 US 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 (1 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-20030135040-A1 Compositions and methods of synthesis and use of novel nucleic acid structures ADAR, NSUN2, RNGTT SLC28A2 222/4885GSK3B 4509/4885CDK5 1759/4885

“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.