SCHEMBL4056916

SCHEMBL4056916

CC(C)Cn1c(NC(=O)O)nc2c(N)nc3cccnc3c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR8 Q9NR97 4/20 0.41
ALDH1A1 P00352 2/20 0.39
PRMT5 O14744 1/20 0.37
TP53 P04637 1/20 0.37
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL863071 0.90 ALDH1A1 (0.40) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4056414 0.83 ALDH1A1 (0.41) LMNAPOLBALDH1A1TP53EGFR
Sotirimod SCHEMBL191424 0.82 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
Sotirimod SCHEMBL29395045 0.82 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL842632 0.81 TLR7 (0.42) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL193507 0.80 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4156478 0.79 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5130116 0.78 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL1490382 0.77 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL1490770 0.75 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D

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 110/4885LMNA 4092/4885POLB 3413/4885

“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.