SCHEMBL5844191

SCHEMBL5844191

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2cnc(Cl)nc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.58
▸ ADORA3 P0DMS8 11/20 0.51
▸ ADORA1 P30542 8/20 0.51
▸ ADORA2B P29275 4/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ADA P00813 1/20 0.44
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38

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
SCHEMBL19536251 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL19536253 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL731577 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL4551409 0.83 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL5083241 0.83 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL13598733 0.77 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL1738408 0.77 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL4430217 0.77 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL13598781 0.77 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL6730328 0.76 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BALOX15

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-7105499-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-09-12 — — US disclosed
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase MERCK SHARP & DOHME LLC 2004-06-10 — — 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-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 395/4885ADORA3 304/4885ADORA1 493/4885

“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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