SCHEMBL4060026

SCHEMBL4060026

CC(C)(O)Cn1c(NC(=O)O)nc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.48
EGFR P00533 9/20 0.40
TLR8 Q9NR97 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL4060033 1.00 TLR7 (0.48) TLR7EGFRTLR8KDM4EMEN1
SCHEMBL843176 0.81 TLR7 (0.46) TLR7TLR8KDM4ENUDT1
SCHEMBL4057038 0.78 TLR7 (0.52) TLR7EGFRTLR8NUDT1
SCHEMBL5452417 0.76 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL4532094 0.75 TLR7 (0.57) TLR7TLR8MEN1TSHRKMT2A
SCHEMBL29385735 0.75 TLR7 (0.57) TLR7TLR8MEN1TSHRKMT2A
SCHEMBL17181525 0.75 TLR7 (0.53) TLR7TLR8TSHRNUDT1
SCHEMBL4051614 0.73 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL22158688 0.72 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL2059398 0.71 TLR7 (0.46) TLR7TLR8NUDT1

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
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 TLR7 110/4885EGFR 3500/4885TLR8 262/4885

“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.