SCHEMBL91115

SCHEMBL91115

OCC(O)[C@@H](CO)OCn1cnc2c(NCc3ccc(O)cc3)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.55
CCNB2 O95067 7/20 0.55
CCNB1 P14635 7/20 0.55
CCNB3 Q8WWL7 7/20 0.55
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.46
TMIGD3 P0DMS9 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC29A1 Q99808 1/20 0.42
CDK2 P24941 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL14472999 0.75 AHCY (0.60) ADORA2AADORA1
SCHEMBL10284145 0.75 AHCY (0.60) ADORA2AADORA1
SCHEMBL91112 0.75 FDPS (0.48) KMT2AADORA2AADORA1SMN1; SMN2
SCHEMBL2001785 0.73 CDK1 (0.60) CDK1CCNB2CCNB1CCNB3RAB9A
SCHEMBL2006199 0.73 TMIGD3 (0.60) CDK1CCNB2CCNB1CCNB3RAB9A
SCHEMBL8936762 0.72 ADORA3 (0.55) ADORA2AADORA1
SCHEMBL13248702 0.72 ATM (0.43) ADORA2A
SCHEMBL14472889 0.72 ATM (0.43) ADORA2A
SCHEMBL28068467 0.68 TMIGD3 (0.77) CDK1CCNB2CCNB1CCNB3RAB9A
SCHEMBL14139510 0.68 AHCY (0.56) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129357-B2 N6-(4-hydroxybenzyl)adenosine; Gastrodia extract; neurodegenerative Huntington's disease; trinucleotide repeat disease; hypoglycemic; neurological antiinflammatory; amination of 6-chloropurine ribonucleoside with 4-hydroxybenzylamine; condensation of adenosine with 4-methoxybenzoyl chloride ACADEMIA SINICA (TW) 2012-03-06 US disclosed
US-20080176816-A1 Method of making and using an adenosine analogue ACADEMIA SINICA 2008-07-24 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-20080176816-A1 Method of making and using an adenosine analogue HTT, ADA, GDA CDK1 3604/4885CCNB2 3577/4885CCNB1 3718/4885

“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.