SCHEMBL4458085

SCHEMBL4458085

Nc1nc(CS)nc(N)c1N=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK2 P24941 5/20 0.42
CDK1 P06493 4/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 4/20 0.39
CCNA1 P78396 4/20 0.39
CCNB1 P14635 3/20 0.35
MGMT P16455 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP6 P55212 1/20 0.33
CCNB2 O95067 1/20 0.33
MTOR P42345 1/20 0.33
ATR Q13535 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL10244775 0.86 MAPT (0.38) MAPTTDP1CDK2CDK1CDK4
SCHEMBL7767432 0.75 CDK2 (0.45) MAPTCDK2CDK1CDK4CCNA2
SCHEMBL439475 0.74 CDK2 (0.61) MAPTTDP1CDK2CDK1CDK4
SCHEMBL656566 0.71 CDK2 (0.48) MAPTTDP1CDK2CDK1CDK4
SCHEMBL7766477 0.70 CDK2 (0.45) MAPTCDK2CDK1CDK4CCNA2
SCHEMBL11121357 0.68 CDK2 (0.55) MAPTTDP1CDK2CDK1CDK4
SCHEMBL28569641 0.66 MAPT (0.55) MAPTTDP1
SCHEMBL6209356 0.66 CDK2 (0.52) MAPTTDP1CDK2CDK1CDK4
SCHEMBL5456964 0.65 CDK2 (0.42) MAPTCDK2CDK1CDK4CCNA2
SCHEMBL4458080 0.65 CDK2 (0.41) MAPTCDK2CDK1CDK4CCNA2

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 13 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
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 EP disclosed
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US 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
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP 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-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO 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

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-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 MAPT 1684/4885TDP1 1034/4885CDK2 663/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF MAPT 919/4885TDP1 469/4885CDK2 723/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 MAPT 2410/4885TDP1 1505/4885CDK2 2395/4885

“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.