SCHEMBL4901149

SCHEMBL4901149

O=[N+]([O-])c1cnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.56
GRK6 P43250 2/20 0.51
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
HK1 P19367 1/20 0.44
HK2 P52789 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL4870544 0.84 ADK (0.53) ADKGRK6CA1CA2HK1
SCHEMBL4874032 0.82 GRK6 (0.52) ADKGRK6CA1CA2TSHR
SCHEMBL4900475 0.81 GRK6 (0.56) ADKGRK6CA1CA2TSHR
SCHEMBL9399690 0.77 CA1 (0.64) ADKGRK6CA1CA2TSHR
SCHEMBL14353232 0.77 CA1 (0.64) ADKGRK6CA1CA2TSHR
SCHEMBL14478532 0.77 GRK6 (0.55) ADKGRK6CA1CA2HK1
SCHEMBL14478587 0.77 CA1 (0.64) ADKGRK6CA1CA2TSHR
SCHEMBL14353191 0.77 GRK6 (0.55) ADKGRK6CA1CA2HK1
SCHEMBL15955793 0.77 NPC1 (0.49) ADKCA1CA2TSHR
SCHEMBL4875722 0.77 NPC1 (0.49) ADKCA1CA2TSHR

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-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations PTC THERAPEUTICS, INC. 2008-04-17 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-20080090774-A1 Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations NSUN2, RNMT, NSUN3 ADK 198/4885GRK6 3642/4885CA1 4825/4885

“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.