SCHEMBL18172264

SCHEMBL18172264

[N-]=[N+]=NC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.73
▸ ADORA3 P0DMS8 7/20 0.67
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ CA4 P22748 1/20 0.63
▸ CA9 Q16790 1/20 0.63
▸ ADORA2A P29274 3/20 0.61
▸ ADORA1 P30542 2/20 0.61
▸ ADORA2B P29275 2/20 0.61
▸ NT5E P21589 1/20 0.61
▸ PDE2A O00408 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ PDE3A Q14432 1/20 0.59
▸ P2RY1 P47900 4/20 0.59
▸ P2RY11 Q96G91 2/20 0.59
▸ DNMT1 P26358 2/20 0.57
▸ DNMT3B Q9UBC3 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56

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
SCHEMBL19837832 0.88 AHCY (0.73) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL13183211 0.86 ADORA3 (0.71) ADORA3CA1CA2CA4CA9
SCHEMBL15371600 0.84 AHCY (1.00) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL26807050 0.84 AHCY (1.00) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL16682237 0.84 AHCY (1.00) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6886946 0.84 ADORA3 (0.81) ADORA3CA1CA2CA4CA9
SCHEMBL6837087 0.84 ADORA3 (0.81) ADORA3CA1CA2CA4CA9
SCHEMBL20128458 0.84 ADORA3 (0.81) ADORA3CA1CA2CA4CA9
SCHEMBL8975371 0.84 ADORA3 (0.76) ADORA3CA1CA2CA4CA9
SCHEMBL4535914 0.84 ADORA3 (0.81) ADORA3CA1CA2CA4CA9

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 AHCY 1682/4885ADORA3 78/4885CA1 2925/4885

“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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