SCHEMBL5452939

SCHEMBL5452939

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

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.89
ALDH1A1 P00352 6/20 0.89
HPGD P15428 3/20 0.89
GAA P10253 3/20 0.89
GLA P06280 1/20 0.89
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
JAK2 O60674 1/20 0.57
PAX8 Q06710 1/20 0.57
ADORA2B P29275 3/20 0.50
ADORA2A P29274 2/20 0.50
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA1 P30542 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL7526429 0.88 KDM4E (0.78) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5452955 0.84 ALDH1A1 (0.65) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5440125 0.84 HPGD (0.65) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5439369 0.84 ALDH1A1 (0.64) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5440062 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5437071 0.83 ALDH1A1 (0.64) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5447101 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6314617 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5437131 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL5446562 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HPGDGAAGLA

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 10 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
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
US-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO 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
EP-1187615-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2002-03-20 EP disclosed
WO-2000045800-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-08-10 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 (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 KDM4E 1686/4885ALDH1A1 1767/4885HPGD 1339/4885
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 KDM4E 1278/4885ALDH1A1 1744/4885HPGD 1752/4885

“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.