SCHEMBL2913810

SCHEMBL2913810

COc1nncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
BLM P54132 2/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
DNMT1 P26358 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
HBB P68871 1/20 0.45
PMP22 Q01453 1/20 0.45
ADA P00813 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2912997 0.82 ADORA2A (0.53) ADORA2AADORA2BTP53LMNASMN1; SMN2
SCHEMBL2912972 0.79 LMNA (0.55) ADORA2AADORA2BTP53LMNASMN1; SMN2
SCHEMBL2909222 0.76 LMNA (0.55) ADORA2AADORA2BTP53LMNASMN1; SMN2
SCHEMBL2914867 0.75 KDM4E (0.61) KDM4EPKMADORA2AADORA2BTP53
SCHEMBL27662436 0.75 KDM4E (0.61) KDM4EPKMADORA2AADORA2BTP53
SCHEMBL9142042 0.72 SLC29A1 (0.70) ADORA2AADORA2BSMN1; SMN2
SCHEMBL6887353 0.72 SLC29A1 (0.70) ADORA2AADORA2BSMN1; SMN2
SCHEMBL6903709 0.72 SLC29A1 (0.70) ADORA2AADORA2BSMN1; SMN2
SCHEMBL1979130 0.72 SLC29A1 (0.70) ADORA2AADORA2BSMN1; SMN2
SCHEMBL4081006 0.72 SLC29A1 (0.70) ADORA2AADORA2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
EP-1658302-B1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING DISEASES CAUSED BY FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS INC (US) 2010-08-25 EP disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20050075309-A1 Treatment of pestivirus, flavivirus and hepatitis C virus infection by administering tan effective amount of an anti-HCV biologically active pentofuranonucleoside where the pentofuranonucleoside base is an optionally substituted 2-azapurine;viricides; nontoxic; side effects reduction IDENIX PHARMACEUTICALS, INC. 2005-04-07 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-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP KDM4E 1808/4885PKM 3644/4885ADORA2A 112/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP KDM4E 1808/4885PKM 3644/4885ADORA2A 112/4885
US-20050075309-A1 Treatment of pestivirus, flavivirus and hepatitis C virus infection by administering tan effective amount of an anti-HCV biologically active pentofuranonucleoside where the pentofuranonucleoside base is an optionally substituted 2-azapurine;viricides; nontoxic; side effects reduction PNP, TPMT, HAVCR2 KDM4E 1685/4885PKM 3742/4885ADORA2A 180/4885

“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.