SCHEMBL2912997

SCHEMBL2912997

COc1nncc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
ADORA2B P29275 3/20 0.53
ADORA1 P30542 4/20 0.48
ADORA3 P0DMS8 3/20 0.48
PAX8 Q06710 1/20 0.48
SLC29A1 Q99808 2/20 0.48
DPP4 P27487 1/20 0.48
MEN1 O00255 1/20 0.48
SLC28A1 O00337 1/20 0.48
MAP3K7 O43318 1/20 0.48
SLC28A2 O43868 1/20 0.48
GAPDH P04406 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT6 P42226 1/20 0.48
PI4KA P42356 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
DOT1L Q8TEK3 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48

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
SCHEMBL5318018 0.82 LMNA (0.59) ADORA2AADORA2BADORA1ADORA3PAX8
SCHEMBL2911996 0.82 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3SLC29A1
SCHEMBL13787625 0.82 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3SLC29A1
SCHEMBL2911993 0.82 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3SLC29A1
SCHEMBL1800006 0.82 LMNA (0.59) ADORA2AADORA2BADORA1ADORA3PAX8
SCHEMBL2913810 0.82 KDM4E (0.50) ADORA2AADORA2BSMN1; SMN2LMNATP53
SCHEMBL2909222 0.79 LMNA (0.55) ADORA2AADORA2BADORA1ADORA3PAX8
SCHEMBL9142042 0.77 SLC29A1 (0.70) ADORA2AADORA2BADORA1ADORA3SLC29A1
SCHEMBL6903709 0.77 SLC29A1 (0.70) ADORA2AADORA2BADORA1ADORA3SLC29A1
SCHEMBL4081006 0.77 SLC29A1 (0.70) ADORA2AADORA2BADORA1ADORA3SLC29A1

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 9 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-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-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
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 ADORA2A 112/4885ADORA2B 276/4885ADORA1 297/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ADORA2A 112/4885ADORA2B 276/4885ADORA1 297/4885
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 ADORA2A 180/4885ADORA2B 253/4885ADORA1 588/4885

“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.