SCHEMBL10101246

SCHEMBL10101246

CC(C)n1cnc2c(=O)[nH]c(N)nc(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.43
HPRT1 P00492 3/20 0.42
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
VCP P55072 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PNP P00491 2/20 0.39
TK1 P04183 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39

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
SCHEMBL23731045 0.82 ADORA2A (0.41) XDHHPRT1CDK1CCNB1CCNE1
SCHEMBL2385929 0.82 HPRT1 (0.55) XDHHPRT1CDK1CCNB1CCNE1
SCHEMBL10104854 0.80 XDH (0.46) XDHHPRT1MEN1KMT2AALDH1A1
SCHEMBL19413462 0.80 ADORA2A (0.49) XDHHPRT1CDK1CCNB1CCNE1
SCHEMBL21127824 0.75 HPRT1 (0.54) XDHHPRT1MEN1KMT2AALDH1A1
SCHEMBL21311450 0.73 HPRT1 (0.56) XDHHPRT1MEN1KMT2AALDH1A1
SCHEMBL6455102 0.73 HPRT1 (0.56) XDHHPRT1MEN1KMT2AALDH1A1
SCHEMBL24709220 0.73 HPRT1 (0.53) XDHHPRT1MEN1KMT2AALDH1A1
SCHEMBL20782353 0.71 HPRT1 (0.51) XDHHPRT1MEN1KMT2AALDH1A1
SCHEMBL22083751 0.71 HPRT1 (0.54) XDHHPRT1MEN1KMT2AALDH1A1

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 12 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-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-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-8575119-B2 2′-chloroacetylenyl substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20130078217-A1 2'-CHLOROACETYLENYL SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2013-03-28 US disclosed
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-09-20 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 (5 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 193/4885HPRT1 14/4885CDK1 52/4885
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES NME2, HAVCR2, ENTPD5 XDH 225/4885HPRT1 61/4885CDK1 25/4885
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES CCNI, CCNA1, CDK1 XDH 356/4885HPRT1 85/4885CDK1 3/4885
US-20130078217-A1 2'-CHLOROACETYLENYL SUBSTITUTED NUCLEOSIDE DERIVATIVES DUT, HAVCR2, HCCS XDH 266/4885HPRT1 33/4885CDK1 118/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 XDH 193/4885HPRT1 14/4885CDK1 52/4885

“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.