SCHEMBL15962778

SCHEMBL15962778

C[C@]1(F)C(n2ccc3c(N)ncnc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.52
ADORA2A P29274 1/20 0.52
PRMT5 O14744 16/20 0.51
WDR77 Q9BQA1 13/20 0.51
METTL3 Q86U44 1/20 0.46
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC29A1 Q99808 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
SCHEMBL14154291 1.00 ADK (0.52) ADKADORA2APRMT5WDR77METTL3
SCHEMBL14644371 1.00 ADK (0.52) ADKADORA2APRMT5WDR77METTL3
SCHEMBL14111689 0.89 ADORA2A (0.50) ADKADORA2APRMT5WDR77METTL3
SCHEMBL14111701 0.89 ADORA2A (0.50) ADKADORA2APRMT5WDR77METTL3
SCHEMBL14111686 0.89 ADORA2A (0.50) ADKADORA2APRMT5WDR77METTL3
SCHEMBL14154370 0.89 ADK (0.52) ADKADORA2APRMT5WDR77METTL3
SCHEMBL19229275 0.89 ADK (0.52) ADKADORA2APRMT5WDR77METTL3
SCHEMBL19229329 0.89 ADK (0.52) ADKADORA2APRMT5WDR77METTL3
SCHEMBL18490535 0.89 PDE4D (0.57) ADKADORA2APRMT5WDR77METTL3
Beta-2'-C-Methyl-7-Deaza-Adenosine SCHEMBL14640071 0.88 ADORA2A (0.67) ADKADORA2APRMT5WDR77

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-9416154-B2 5′-substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20140235567-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-08-21 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-20140235567-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NT5C3B, PNP, SLC29A1 ADK 351/4885ADORA2A 41/4885PRMT5 176/4885

“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.