SCHEMBL4454204

SCHEMBL4454204

CCOc1nc(N)nc(N)c1N=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.66
CCNA2 P20248 7/20 0.66
CCNA1 P78396 7/20 0.66
CDK1 P06493 9/20 0.65
CCNB1 P14635 5/20 0.65
MGMT P16455 4/20 0.60
MEN1 O00255 1/20 0.57
CCNB2 O95067 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
ATR Q13535 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
CDK4 P11802 1/20 0.34

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
SCHEMBL16828242 0.91 CCNA2 (0.53) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL18134206 0.84 CCNA2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2056438 0.83 CCNA2 (0.67) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16464209 0.81 CDK2 (0.73) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16464872 0.81 CDK2 (0.63) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16464949 0.79 CDK2 (1.00) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16463323 0.79 CDK2 (0.66) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16465651 0.79 CDK2 (1.00) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16463170 0.78 CDK2 (0.63) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2054835 0.76 MGMT (1.00) CDK2CCNA2CCNA1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US disclosed
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 US disclosed
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
EP-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 EP disclosed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP disclosed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 WO disclosed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 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 (4 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-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CDK2 636/4885CCNA2 1165/4885CCNA1 722/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CDK2 663/4885CCNA2 1188/4885CCNA1 782/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CDK2 636/4885CCNA2 1165/4885CCNA1 722/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 CDK2 2395/4885CCNA2 2278/4885CCNA1 1679/4885

“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.