SCHEMBL5454828

SCHEMBL5454828

Cn1c(=O)n(CCN2CCOCC2)c(=O)c2nc(-c3ccccc3)c(Br)nc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TLR9 Q9NR96 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL5445092 0.88 ALDH1A1 (0.57) ALDH1A1TLR9SMN1; SMN2TSHRHTT
SCHEMBL5452709 0.79 ALDH1A1 (0.59) ALDH1A1TLR9SMN1; SMN2TSHRHTT
SCHEMBL5435794 0.78 ALDH1A1 (0.58) ALDH1A1TLR9SMN1; SMN2TSHRHTT
SCHEMBL5443480 0.73 ALDH1A1 (0.56) ALDH1A1TSHRHTTGAAMEN1
SCHEMBL7526429 0.70 KDM4E (0.78) ALDH1A1SMN1; SMN2HTTGAAMEN1
SCHEMBL5437071 0.69 ALDH1A1 (0.64) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL5437131 0.68 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRHTTGAA
SCHEMBL18256593 0.68 ADORA2B (0.58) SMN1; SMN2TSHRGLACYP3A4HSD17B10
SCHEMBL5452955 0.68 ALDH1A1 (0.65) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL9833311 0.67 CTDSP1 (0.46) ALDH1A1TLR9SMN1; SMN2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP claimed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO 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
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 ALDH1A1 1767/4885TLR9 151/4885SMN1; SMN2 2524/4885

“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.