SCHEMBL9911172

SCHEMBL9911172

CN1N=C(N)c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)n3ncnc1c23

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ADORA2A P29274 2/20 0.36
▸ CASP6 P55212 1/20 0.32
▸ ACVRL1 P37023 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
SCHEMBL646044 0.79 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL13531963 0.79 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL13519782 0.79 ADORA2A (0.44) ADORA2AACVRL1
SCHEMBL13531953 0.78 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL645160 0.77 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL7598953 0.77 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL13519842 0.77 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL14314776 0.76 ADORA2A (0.42) ADORA2AACVRL1
SCHEMBL13519777 0.76 DOT1L (0.41) ADORA2AACVRL1
SCHEMBL644945 0.76 DOT1L (0.41) ADORA2AACVRL1

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-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-7994139-B2 Antiviral therapeutic agents BIOCRYST PHARMACEUTICALS, INC. (US) 2011-08-09 — — US disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — US disclosed
WO-2009111653-A2 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-11 — — WO disclosed
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 — — 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 (3 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-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAPK1 2200/4885TDP1 1008/4885CYP1A2 3500/4885
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS TYMP, SAMHD1, TYMS MAPK1 1886/4885TDP1 669/4885CYP1A2 2438/4885
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAPK1 2200/4885TDP1 1008/4885CYP1A2 3500/4885

“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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