SCHEMBL5601329

SCHEMBL5601329

COc1cccc(CON2CN=c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=C2N)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.52
ADORA2B P29275 6/20 0.52
ADORA1 P30542 4/20 0.48
ADORA3 P0DMS8 3/20 0.48
SLC28A2 O43868 1/20 0.45

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
SCHEMBL9671821 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3SLC28A2
SCHEMBL3520439 0.90 ADORA2A (0.49) ADORA2AADORA2BADORA1SLC28A2
SCHEMBL9673734 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3
Bromide SCHEMBL9671949 0.89 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3SLC28A2
SCHEMBL9671759 0.89 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3SLC28A2
SCHEMBL965396 0.88 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3
SCHEMBL9671653 0.88 ADORA2A (0.49) ADORA2AADORA2BADORA1ADORA3
SCHEMBL9672036 0.88 NNMT (0.45) ADORA2AADORA2BADORA1ADORA3
SCHEMBL9671648 0.87 ADORA2A (0.48) ADORA2AADORA2BADORA1ADORA3
SCHEMBL9671646 0.87 SLC29A1 (0.52) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102873-A Viricides SOUTHERN RESEARCH INSTITUTE (US) 1992-04-07 US claimed
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2015-04-02 US disclosed
EP-1868628-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF POXVIRUS INFECTIONS CHIMERIX INC (US) 2014-06-11 EP disclosed
US-8642577-B2 Compounds, compositions and methods for the treatment of poxvirus infections CHIMERIX, INC. (US) 2014-02-04 US disclosed
US-20070003516-A1 Compounds, compositions and methods for the treatment of poxvirus infections EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2007-01-04 US disclosed
US-5102873-A Viricides SOUTHERN RESEARCH INSTITUTE (US) 1992-04-07 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 (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-20070003516-A1 Compounds, compositions and methods for the treatment of poxvirus infections IFNG, POLI, STING1 ADORA2A 2217/4885ADORA2B 3315/4885ADORA1 3299/4885
US-20150094327-A1 COMPOSITIONS AND METHODS FOR INHIBITING RESOLVASES FEN1, RCE1, APEX1 ADORA2A 1691/4885ADORA2B 2690/4885ADORA1 1704/4885

“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.