SCHEMBL19837841

SCHEMBL19837841

CNc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.74
ADORA1 P30542 6/20 0.63
ADORA2A P29274 1/20 0.63
PRMT5 O14744 2/20 0.55
WDR77 Q9BQA1 2/20 0.55
IARS1 P41252 1/20 0.55
HTR2B P41595 1/20 0.54

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
SCHEMBL14424395 0.88 ADORA1 (0.79) ADORA3ADORA1ADORA2A
SCHEMBL19837855 0.88 ADORA3 (0.79) ADORA3ADORA1ADORA2APRMT5WDR77
SCHEMBL5354088 0.85 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL5354093 0.85 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL19837838 0.85 ADORA3 (0.80) ADORA3ADORA1ADORA2APRMT5WDR77
SCHEMBL19837864 0.84 ADORA3 (0.74) ADORA3ADORA1ADORA2APRMT5WDR77
SCHEMBL19837865 0.82 ADORA3 (0.69) ADORA3ADORA1ADORA2AIARS1
SCHEMBL3692106 0.78 ADORA3 (0.74) ADORA3ADORA1ADORA2A
SCHEMBL1961097 0.78 ADORA3 (0.74) ADORA3ADORA1ADORA2A
SCHEMBL4384509 0.77 ADORA3 (1.00) ADORA3ADORA1ADORA2A

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 1 patent. 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

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 73/4885ADORA2A 133/4885

“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.