SCHEMBL18172260

SCHEMBL18172260

CSC[C@H]1O[C@@H](n2cnc3c(N)nc(C#N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.73
ADORA2A P29274 7/20 0.72
ADORA1 P30542 1/20 0.59
ADORA2B P29275 1/20 0.59
AHCY P23526 1/20 0.58

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
SCHEMBL259431 0.87 ADORA2A (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL259432 0.87 ADORA2A (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19837838 0.86 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL15926825 0.85 ADORA3 (0.78) ADORA3ADORA2AADORA2BAHCY
SCHEMBL2118563 0.85 ADORA3 (0.78) ADORA3ADORA2AADORA2BAHCY
SCHEMBL2118571 0.85 ADORA3 (0.78) ADORA3ADORA2AADORA2BAHCY
SCHEMBL13860338 0.84 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BAHCY
SCHEMBL5354088 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA2BAHCY
SCHEMBL5354093 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA2BAHCY
SCHEMBL13860337 0.84 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2BAHCY

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-20180037601-A1 Nucleoside-Based Anti-Bacterial and Anti-Protozoan Drugs UTI LIMITED PARTNERSHIP (CA) 2018-02-08 US disclosed
WO-2016168911-A1 NUCLEOSIDE-BASED ANTI-BACTERIAL AND ANTI-PROTOZOAN DRUGS UTI LIMITED PARTNERSHIP (CA) 2016-10-27 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-20180037601-A1 Nucleoside-Based Anti-Bacterial and Anti-Protozoan Drugs PNP, NUDT1, SLC29A1 ADORA3 78/4885ADORA2A 133/4885ADORA1 73/4885

“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.