SCHEMBL13725495

SCHEMBL13725495

CSc1nc(N)c2c(I)cn(C3O[C@H](CO)[C@@H](O)C3(C)O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.48
▸ ADA P00813 1/20 0.42
▸ ADORA3 P0DMS8 7/20 0.37
▸ ADK P55263 6/20 0.37
▸ ADORA2B P29275 4/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL13005683 0.88 ADORA2A (0.51) ADORA2AADAADORA3ADKADORA2B
SCHEMBL3292590 0.88 ADORA2A (0.51) ADORA2AADAADORA3ADKADORA2B
SCHEMBL12716058 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL13650003 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL1573050 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL15241432 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL13091999 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL13021352 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL2786078 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1
SCHEMBL13649996 0.81 ADORA2A (0.65) ADORA2AADORA3ADKADORA2BADORA1

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-20090208457-A1 Tricyclic-Nucleoside Prodrugs for Treating Viral Infections SMITHKLINE BEECHAM CORPORATION (US) 2009-08-20 — — US disclosed
US-7534771-B2 Tricyclic-nucleoside prodrugs for treating viral infections SMITHKLINE BEECHAM CORPORATION (US) 2009-05-19 — — 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-20090208457-A1 Tricyclic-Nucleoside Prodrugs for Treating Viral Infections PNP, TYMP, HAVCR2 ADORA2A 172/4885ADA 16/4885ADORA3 299/4885

“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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