SCHEMBL3301755

SCHEMBL3301755

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1csc2c(=O)[nH]c(N)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.40
ADORA2A P29274 2/20 0.36
TLR7 Q9NYK1 4/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3301763 1.00 PNP (0.40) PNPADORA2ATLR7CYP3A4MAPT
SCHEMBL12261182 0.81 PNP (0.40) PNPADORA2ATLR7CYP3A4MAPT
SCHEMBL3303086 0.81 PDPK1 (0.43) PNPADORA2A
SCHEMBL3303093 0.81 PDPK1 (0.43) PNPADORA2A
SCHEMBL3300370 0.80 PNP (0.39) PNPADORA2ACYP3A4MAPTMEN1
SCHEMBL264086 0.80 PNP (0.39) PNPADORA2ACYP3A4MAPTMEN1
SCHEMBL3365046 0.80 PNP (0.54) PNP
SCHEMBL3365040 0.80 PNP (0.54) PNP
SCHEMBL3309845 0.79 PNP (0.53) PNPCYP3A4MAPTMEN1KMT2A
SCHEMBL3309836 0.79 PNP (0.53) PNPCYP3A4MAPTMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US claimed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US claimed
US-7534767-B2 C-purine nucleoside analogs as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2009-05-19 US claimed
US-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase MERCK SHARP & DOHME LLC 2008-01-24 US claimed
US-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US disclosed
US-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US disclosed
WO-2007002191-A2 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-01-04 WO 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 (2 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-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES DPYD, TYMP, UNG PNP 8/4885ADORA2A 134/4885TLR7 2129/4885
US-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase NSUN2, PNP, RNGTT PNP 2/4885ADORA2A 106/4885TLR7 740/4885

“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.