SCHEMBL18176251

SCHEMBL18176251

CNc1nc(F)nc2c1ncn2C1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 0.69
▸ ADORA1 P30542 10/20 0.56
▸ ADORA2B P29275 4/20 0.56
▸ ADORA2A P29274 4/20 0.52

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
SCHEMBL19837854 1.00 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL19843955 0.87 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL14408092 0.87 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL19837846 0.87 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL18172268 0.86 ADORA3 (0.74) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL19837865 0.86 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL17234120 0.85 ADORA3 (0.77) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL12240151 0.84 ADORA3 (0.66) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL23884966 0.83 ADORA3 (0.74) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL10015793 0.83 ADORA3 (0.74) ADORA3ADORA1ADORA2BADORA2A

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 78/4885ADORA1 73/4885ADORA2B 224/4885

“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.

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