SCHEMBL5449115

SCHEMBL5449115

CCn1c(=O)[nH]c(=O)c2nc(-c3ccccc3)c(O)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADORA2B P29275 4/20 0.44
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ADORA1 P30542 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
PNP P00491 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL5440039 0.88 PNP (0.52) MEN1KMT2AADORA3KDM4ETSHR
SCHEMBL5443072 0.85 MEN1 (0.45) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL5442836 0.83 TP53 (0.44) KMT2AADORA2BADORA2AKDM4ETSHR
SCHEMBL6314968 0.80 DHFR (0.46) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL5435684 0.73 PNP (0.53) MEN1KMT2AADORA3KDM4ETSHR
SCHEMBL6315410 0.73 ADORA2B (0.53) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL5443537 0.72 ALDH1A1 (0.44) MEN1KMT2AKDM4ETSHRMAPK1
SCHEMBL6320759 0.72 KDM4E (0.48) MEN1KMT2AADORA2BADORA2AKDM4E
SCHEMBL5446767 0.71 KMT2A (0.45) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL5446598 0.71 BRDT (0.41) KMT2AKDM4ETSHRHSD17B10CYP1A2

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
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MEN1 2633/4885KMT2A 1220/4885ADORA2B 2986/4885

“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.