SCHEMBL6314769

SCHEMBL6314769

COc1nc2c(nc1-c1ccccc1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
GLA P06280 1/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
ADORA2B P29275 3/20 0.48
ADORA2A P29274 2/20 0.48
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL5445201 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6321034 0.86 KDM4E (0.60) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7526429 0.86 KDM4E (0.78) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6314617 0.81 KDM4E (0.67) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5452939 0.81 KDM4E (0.89) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5447101 0.81 KDM4E (0.67) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5441255 0.78 KDM4E (0.71) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6316460 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5447095 0.75 KDM4E (0.60) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5434751 0.75 ALDH1A1 (0.61) 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 2 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

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-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.