SCHEMBL5035572

SCHEMBL5035572

COc1ccc(Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.78
ADORA2B P29275 4/20 0.78
CYP1A2 P05177 2/20 0.78
THPO P40225 1/20 0.78
MEN1 O00255 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
KMT2A Q03164 1/20 0.78
BLM P54132 1/20 0.78
ADORA1 P30542 2/20 0.67
ADORA3 P0DMS8 1/20 0.66

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
SCHEMBL9021935 0.89 ADORA2A (0.73) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL9021920 0.89 ADORA2A (0.73) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL9021645 0.88 ADORA2A (0.79) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL9021625 0.88 ADORA2A (0.79) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL725689 0.88 CYP1A2 (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL725690 0.88 CYP1A2 (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL29387702 0.88 CYP1A2 (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL29753859 0.88 CYP1A2 (1.00) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL9021835 0.86 ADORA2A (0.77) ADORA2AADORA2BCYP1A2THPOMEN1
SCHEMBL9022416 0.86 ADORA2A (0.77) ADORA2AADORA2BCYP1A2THPOMEN1

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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
CN-1946732-A Adenosine receptor agonists CAMBRIDGE BIOTECHNOLOGY LTD (GB) 2007-04-11 CN disclosed
EP-1749016-A2 ADENOSINE RECEPTOR AGONISTS Cambridge Biotechnology Ltd (GB) 2007-02-07 EP disclosed
WO-2005084653-A2 ADENOSINE RECEPTOR AGONISTS CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2005-09-15 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 (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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes ADORA3, ADORA2B, P2RX3 ADORA2A 9/4885ADORA2B 2/4885CYP1A2 1644/4885

“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.