SCHEMBL2911657

SCHEMBL2911657

Nc1nnc(N)c2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
XDH P47989 2/20 0.43
LMNA P02545 1/20 0.43
DRD3 P35462 1/20 0.43
LRRK2 Q5S007 1/20 0.43
GDA Q9Y2T3 2/20 0.42
PDPK1 O15530 2/20 0.42
CSNK2A1 P68400 3/20 0.41
CSNK2A2 P19784 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
CSNK2B P67870 1/20 0.41
KMT2A Q03164 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38

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
SCHEMBL32675777 1.00 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL2515520 0.83 PDPK1 (0.46) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL32675792 0.74 CDK2 (0.51) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL5745701 0.74 PDPK1 (0.46) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL824416 0.70 CSNK2A1 (0.55) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL17253699 0.70 CSNK2A1 (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL31315058 0.70 CSNK2A1 (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL6879377 0.70 NOS3 (0.39) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL3790459 0.69 PDPK1 (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL5267394 0.68 PARP1 (0.47) PI4KAPI4K2BPI4K2API4KBXDH

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 PI4KA 3104/4885PI4K2B 2860/4885PI4K2A 3070/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP PI4KA 3104/4885PI4K2B 2860/4885PI4K2A 3070/4885
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 PI4KA 3294/4885PI4K2B 2821/4885PI4K2A 3096/4885

“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.