SCHEMBL17232086

SCHEMBL17232086

C=C1N=C(N)C=CN1[C@@H]1O[C@H](COC)[C@@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 4/20 0.43
▸ ADORA3 P0DMS8 4/20 0.43
▸ ATG7 O95352 10/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ HSPA5 P11021 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
SCHEMBL17232107 0.90 ADK (0.36) ADKADORA3ATG7ADORA1HSPA5
SCHEMBL15459909 0.85 LMNA (0.42) ADORA3ADORA1HSPA5
SCHEMBL17752033 0.85 LMNA (0.42) ADORA3ADORA1HSPA5
SCHEMBL17752030 0.83 ADORA2A (0.32) ADORA3ATG7
SCHEMBL14928561 0.81 EHMT1 (0.31) —
SCHEMBL15868469 0.81 EHMT1 (0.31) —
SCHEMBL15249079 0.81 EHMT1 (0.31) —
SCHEMBL14946054 0.81 EHMT1 (0.31) —
SCHEMBL18852307 0.81 EHMT1 (0.31) —
SCHEMBL15702886 0.81 P2RY2 (0.48) —

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-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 — — US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 — — 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-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 ADK 9/4885ADORA3 1004/4885ATG7 3187/4885

“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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