SCHEMBL16409710

SCHEMBL16409710

CO[C@H]1C(O)[C@@H](OCP(=O)(O)O)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.55
▸ HSP90B1 P14625 1/20 0.48
▸ HINT1 P49773 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.46
▸ RNASEL Q05823 2/20 0.46
▸ CA5A P35218 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ P2RY1 P47900 1/20 0.44
▸ P2RY11 Q96G91 1/20 0.44

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
SCHEMBL12300513 1.00 NT5E (0.55) NT5EHSP90B1HINT1ADORA3RNASEL
SCHEMBL12300490 0.88 ADORA3 (0.60) NT5EADORA3RNASELADORA1P2RY1
SCHEMBL16409711 0.88 ADORA3 (0.60) NT5EADORA3RNASELADORA1P2RY1
SCHEMBL12300422 0.84 NT5E (0.56) NT5EHINT1
SCHEMBL12150802 0.79 HSP90B1 (0.46) NT5EHSP90B1HINT1ADORA3ADORA2A
SCHEMBL12746912 0.79 HSP90B1 (0.46) NT5EHSP90B1HINT1ADORA3ADORA2A
SCHEMBL1527213 0.79 ADORA2A (0.66) NT5EADORA3ADORA2AADORA2BADORA1
SCHEMBL12300482 0.79 ADORA2A (0.66) NT5EADORA3ADORA2AADORA2BADORA1
SCHEMBL12150807 0.79 ADORA2A (0.66) NT5EADORA3ADORA2AADORA2BADORA1
SCHEMBL12031300 0.79 ADORA2A (0.66) NT5EADORA3ADORA2AADORA2BADORA1

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-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP NT5E 203/4885HSP90B1 1694/4885HINT1 202/4885

“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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