SCHEMBL2294592

SCHEMBL2294592

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@]2(O)C(C)(C)[C@]12O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.43
ADORA2A P29274 6/20 0.43
ADORA1 P30542 5/20 0.43
ADORA2B P29275 2/20 0.43

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
SCHEMBL15633799 0.83 ADORA3 (0.50) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8306794 0.82 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20699834 0.78 PI4KA (0.62) ADORA3ADORA2AADORA1
SCHEMBL12379237 0.78 PI4KA (0.62) ADORA3ADORA2AADORA1
SCHEMBL18571809 0.78 PI4KA (0.62) ADORA3ADORA2AADORA1
SCHEMBL23635185 0.78 ADORA3 (0.42) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL118827 0.78 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5786575 0.77 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL121441 0.77 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1078828 0.77 ADORA2A (0.64) ADORA3ADORA2AADORA1ADORA2B

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ADORA3 1669/4885ADORA2A 2428/4885ADORA1 865/4885

“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.