SCHEMBL2912457

SCHEMBL2912457

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2cnncc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.54
ADA P00813 1/20 0.47
ADORA3 P0DMS8 12/20 0.47
ADORA1 P30542 9/20 0.47
ADORA2B P29275 4/20 0.47
ALOX15 P16050 1/20 0.45

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
SCHEMBL6424993 0.82 ADORA2A (0.54) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL13787683 0.81 ADORA2A (0.55) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL2908630 0.80 ADORA2A (0.63) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL2912872 0.80 ADORA2A (0.57) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6838571 0.80 ADORA2A (0.56) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6838587 0.79 ADORA2A (0.55) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL4001514 0.78 ADORA2A (0.64) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6840000 0.76 ADORA2A (0.61) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6838014 0.76 ADORA2A (0.47) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6837549 0.75 ADORA2A (0.47) ADORA2AADAADORA3ADORA1ADORA2B

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 14 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-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-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
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-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 US 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 112/4885ADA 25/4885ADORA3 236/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ADORA2A 112/4885ADA 25/4885ADORA3 236/4885
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 180/4885ADA 16/4885ADORA3 503/4885

“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.