SCHEMBL10100388

SCHEMBL10100388

COC(=O)c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)n2ncnc(N)c12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.39
▸ CSNK2A2 P19784 7/20 0.36
▸ CSNK2A1 P68400 7/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ TNK2 Q07912 4/20 0.35
▸ ACVRL1 P37023 1/20 0.33

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
SCHEMBL13519808 0.89 ADORA2A (0.41) ADORA2ACSNK2A2CSNK2A1TNK2ACVRL1
SCHEMBL647116 0.89 ADORA2A (0.41) ADORA2ACSNK2A2CSNK2A1TNK2ACVRL1
SCHEMBL645943 0.89 ADORA2A (0.41) ADORA2ACSNK2A2CSNK2A1PIK3CDTNK2
SCHEMBL646007 0.85 ADORA2A (0.41) ADORA2ATNK2ACVRL1
SCHEMBL13531971 0.85 ADORA2A (0.41) ADORA2ATNK2ACVRL1
SCHEMBL13519782 0.84 ADORA2A (0.44) ADORA2APIK3CDTNK2ACVRL1
SCHEMBL13531953 0.83 ADORA2A (0.43) ADORA2APIK3CDTNK2ACVRL1
SCHEMBL13531963 0.82 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL646044 0.82 ADORA2A (0.43) ADORA2APIK3CDACVRL1
SCHEMBL7598953 0.82 ADORA2A (0.43) ADORA2APIK3CDTNK2ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440813-B2 Antiviral nucleoside analogs BIOCRYST PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-8440813-B2 Antiviral nucleoside analogs BIOCRYST PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
EP-2535345-A1 Anticancer nucleoside analogs BioCryst Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
EP-2114980-B1 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARM INC (US) 2012-06-27 — — EP disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — US disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — US disclosed
WO-2008089105-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2008-07-24 — — 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 (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-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS TYMP, SAMHD1, TYMS ADORA2A 795/4885CSNK2A2 3359/4885CSNK2A1 2946/4885

“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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