SCHEMBL5454832

SCHEMBL5454832

Cn1c(=O)c2ncc(S)nc2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
JAK2 O60674 1/20 0.46
PAX8 Q06710 1/20 0.46
ADORA2A P29274 3/20 0.44
GAA P10253 3/20 0.42
GLA P06280 1/20 0.42
POLB P06746 3/20 0.42
PIK3CD O00329 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA1 P30542 2/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
NTSR1 P30989 1/20 0.42
MC3R P41968 1/20 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
SCHEMBL5448218 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5440379 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5437603 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5438439 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL6317891 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5438474 0.77 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5438507 0.77 KDM4E (0.56) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5434474 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL6316004 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL6315272 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187615-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2002-03-20 EP claimed
WO-2000045800-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-08-10 WO 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
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 ALDH1A1 1767/4885KDM4E 1686/4885MAPT 378/4885
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1744/4885KDM4E 1278/4885MAPT 388/4885

“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.