SCHEMBL5468657

SCHEMBL5468657

CCCCCCCC(=O)n1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.63
ADORA2A P29274 3/20 0.53
ADA P00813 4/20 0.52
PDE2A O00408 3/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 1/20 0.51
BLM P54132 1/20 0.51
ADCY5 O95622 2/20 0.50

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
SCHEMBL28863078 1.00 GSK3B (0.63) GSK3BADORA2AADAPDE2ACYP3A4
SCHEMBL29274097 0.83 GSK3B (0.73) GSK3BADORA2AALDH1A1ADCY5ADORA1
SCHEMBL16056536 0.77 FGFR1 (0.52) ADORA2AADAPDE2ACYP3A4ALDH1A1
SCHEMBL16056781 0.77 FGFR1 (0.52) ADORA2AADAPDE2ACYP3A4ALDH1A1
SCHEMBL12112267 0.77 GSK3B (0.37) GSK3BADAPDE2ACYP3A4ALDH1A1
SCHEMBL15214201 0.77 GSK3B (0.37) GSK3BADAPDE2ACYP3A4ALDH1A1
SCHEMBL3630349 0.75 GSK3B (0.65) GSK3BADORA2AALDH1A1ADCY5ADORA1
SCHEMBL5347874 0.75 PNP (0.50) HSD17B10TSHRBLM
SCHEMBL12112264 0.75 PDE4A (0.36) GSK3BADORA2AALDH1A1PDE4APDE4B
SCHEMBL9222291 0.75 TMIGD3 (0.58) ADORA2ASMN1; SMN2TSHRADORA1ADORA2B

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
WO-2017164615-A1 METHOD FOR PREPARING 3'-AMINO-2',3'-DIDEOXYADENOSINE BY USING NUCLEOSIDE PHOSPHORYLASE DERIVED FROM BACILLUS ST PHARM CO., LTD. (KR) 2017-09-28 WO disclosed
US-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties METKINEN OY (FI) 2007-03-22 US disclosed
US-4145531-A Process for producing 2'-substituted-D-ribofuranosyl purine compounds MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1979-03-20 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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties DUT, UNG, GALE GSK3B 1659/4885ADORA2A 264/4885ADA 11/4885

“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.