SCHEMBL4296504

SCHEMBL4296504

CCOCc1nc2c(NCc3ccccc3)nc(C)c(C)c2n1NCCCNS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 2/20 0.32
PDE5A O76074 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4299585 0.88 ALDH1A1 (0.38) POLBALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4307165 0.83 TSHR (0.36) ALDH1A1KDM4EHSD17B10SMN1; SMN2CYP3A4
SCHEMBL4303866 0.80 TLR7 (0.31) TLR7
SCHEMBL4299127 0.80 TLR7 (0.40) TLR7
SCHEMBL4296234 0.76 CDK1 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2PDE4A
SCHEMBL483291 0.74 TLR7 (0.61) TLR7
SCHEMBL30346065 0.74 TLR7 (0.61) TLR7
SCHEMBL13663013 0.73 TLR7 (0.45) TLR7PDE5A
SCHEMBL4302627 0.73 RAB9A (0.42) POLBALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL6095541 0.71 TLR7 (0.47) TLR7POLBALDH1A1SMN1; SMN2LMNA

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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 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 (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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG TLR7 188/4885POLB 1638/4885ALDH1A1 821/4885

“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.