SCHEMBL4986535

SCHEMBL4986535

Cc1ccc(CSCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C[C@H]2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.61
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
STAT6 P42226 1/20 0.46
GMNN O75496 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL4977887 0.91 SLC29A1 (0.59) SLC29A1ADORA2AADORA1
SCHEMBL14262987 0.88 SLC29A1 (0.58) SLC29A1ADORA3ADORA2AADORA1TSHR
SCHEMBL4979921 0.88 SLC29A1 (0.81) SLC29A1BLM
SCHEMBL4980359 0.86 SLC29A1 (0.60) SLC29A1ADORA3ADORA2AADORA1TSHR
SCHEMBL4977865 0.85 SLC29A1 (0.60) SLC29A1ADORA3TSHR
SCHEMBL14263024 0.80 SLC29A1 (0.60) SLC29A1ADORA3ADORA2AADORA1TSHR
SCHEMBL24021943 0.79 SLC29A1 (0.65) SLC29A1ADORA3ADORA2AADORA1TSHR
SCHEMBL7737737 0.79 ADORA3 (0.67) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL7737742 0.79 ADORA3 (0.67) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL23982263 0.79 ADORA3 (0.67) SLC29A1ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070859-A1 Compounds resistant to metabolic deactivation and methods of use KANE ROBERT R 2008-03-20 US disclosed
US-20060122144-A1 Compounds resistant to metabolic deactivation and methods of use KANE ROBERT R 2006-06-08 US disclosed
EP-1581547-A2 COMPOUNDS RESISTANT TO METABOLIC DEACTIVATION AND METHODS OF USE BAYLOR UNIVERSITY (US) 2005-10-05 EP disclosed
WO-2004050678-A2 COMPOUNDS RESISTANT TO METABOLIC DEACTIVATION AND METHODS OF USE BAYLOR UNIVERSITY (US) 2004-06-17 WO 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 (2 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-20080070859-A1 Compounds resistant to metabolic deactivation and methods of use NAT1, NNMT, PNP SLC29A1 196/4885ADORA3 571/4885ADORA2A 389/4885
US-20060122144-A1 Compounds resistant to metabolic deactivation and methods of use NAT1, NNMT, PNP SLC29A1 196/4885ADORA3 571/4885ADORA2A 389/4885

“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.