SCHEMBL6316818

SCHEMBL6316818

Cn1c(=O)c2nc(C#N)c(-c3ncc[nH]3)nc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
ADORA2B P29275 2/20 0.38
PDE4A P27815 2/20 0.38
ADORA2A P29274 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PIK3CD O00329 1/20 0.38
ALPL P05186 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 3/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL6316332 0.71 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL6313912 0.68 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL26312966 0.66 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL6321979 0.65 MAPT (0.40) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL10524326 0.64 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL5448291 0.63 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL6314771 0.63 KDM4E (0.58) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL6396069 0.63 MAPT (0.40) ALDH1A1KDM4EHPGDGAAADORA2B
SCHEMBL12355771 0.62 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL6314126 0.62 CTSL (0.43) ALDH1A1KDM4EHPGDADORA2BADORA2A

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-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-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US 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 (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 1278/4885HPGD 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.