SCHEMBL5434751

SCHEMBL5434751

COc1nc2c(nc1C)c(=O)n(C)c(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 4/20 0.61
HTT P42858 3/20 0.61
HPGD P15428 2/20 0.61
JAK2 O60674 1/20 0.61
LMNA P02545 1/20 0.61
PAX8 Q06710 1/20 0.61
ADORA2A P29274 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
THRB P10828 3/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.38
BLM P54132 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
SCHEMBL5448291 0.82 ALDH1A1 (0.73) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL26312966 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL5434690 0.76 ALDH1A1 (0.65) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL10524326 0.76 ALDH1A1 (0.63) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL6314769 0.75 ALDH1A1 (0.64) ALDH1A1KDM4EHTTHPGDLMNA
SCHEMBL12355771 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL5439530 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL6316460 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EHTTHPGDLMNA
SCHEMBL5633208 0.69 ADORA2A (0.60) ALDH1A1KDM4EHTTHPGDJAK2
SCHEMBL5454829 0.69 ALDH1A1 (0.56) ALDH1A1KDM4EHTTHPGDJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-02-22 US disclosed
US-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP disclosed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 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 (2 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-20070043000-A1 Immunosuppresive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1767/4885KDM4E 1686/4885HTT 1915/4885
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1744/4885KDM4E 1278/4885HTT 1845/4885

“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.