SCHEMBL10104854

SCHEMBL10104854

Cn1cnc2c(=O)[nH]c(N)nc(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.46
TK1 P04183 1/20 0.45
GDA Q9Y2T3 1/20 0.42
PNP P00491 2/20 0.42
PMP22 Q01453 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HPRT1 P00492 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL16131579 0.87 GDA (0.46) XDHTK1GDAPNPPMP22
SCHEMBL10101246 0.80 XDH (0.43) XDHTK1PNPPMP22HSD17B10
9-Methylguanine SCHEMBL22884 0.80 XDH (0.58) XDHTK1PNPHSD17B10HPRT1
SCHEMBL7617558 0.80 GDA (0.53) XDHTK1GDAPMP22HSD17B10
9-Methylguanine SCHEMBL27339404 0.79 XDH (0.57) XDHTK1PNPHSD17B10HPRT1
9-Methylguanine SCHEMBL7616445 0.77 GAA (0.42) XDHTK1PNPALDH1A1HPRT1
SCHEMBL25547 0.77 GDA (0.49) GDAPNPPMP22HSD17B10KDM4E
9-Methylguanine SCHEMBL27638388 0.72 XDH (0.52) XDHTK1PNPHSD17B10HPRT1
Guanine SCHEMBL21840390 0.71 PNP (0.43) XDHTK1GDAPNPPMP22
SCHEMBL12724340 0.71 PNP (0.45) TK1PNPHSD17B10ALDH1A1LMNA

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-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 US disclosed
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8163707-B2 4′-allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-03-25 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-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 XDH 193/4885TK1 29/4885GDA 198/4885
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES CCNI, CCNA1, CDK1 XDH 356/4885TK1 29/4885GDA 554/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 XDH 193/4885TK1 29/4885GDA 198/4885

“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.