SCHEMBL5449135

SCHEMBL5449135

Cn1c(=O)c2nc(-c3ccccc3)c(N3CCCCC3)nc2n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 4/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
ADORA2B P29275 3/20 0.44
ADORA2A P29274 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
PLAU P00749 1/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
BLM P54132 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL5443480 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7526429 0.81 KDM4E (0.78) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5447101 0.77 KDM4E (0.67) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5452939 0.77 KDM4E (0.89) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6314617 0.77 KDM4E (0.67) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6401730 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6314318 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6316327 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHPGDKMT2A
SCHEMBL6314769 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5447095 0.74 KDM4E (0.60) ALDH1A1KDM4EGLAGAAHPGD

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-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US claimed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 US claimed
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 1686/4885GLA 3872/4885
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1744/4885KDM4E 1278/4885GLA 3863/4885

“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.