SCHEMBL12097679

SCHEMBL12097679

CCS(=O)(=O)N1CCn2c(nc3c(N)nc4ccccc4c32)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR7 Q9NYK1 17/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR8 Q9NR97 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA1A P35348 1/20 0.40
NUDT1 P36639 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL12888471 0.90 TLR7 (0.41) MEN1KMT2ATLR7GAATLR8
SCHEMBL1233129 0.84 GBA1 (0.43) MEN1KMT2ATLR7GAATLR8
SCHEMBL1231786 0.83 TLR7 (0.40) TLR7GAATLR8LMNAPOLB
Trifluoroacetic Acid SCHEMBL1232744 0.82 LIPG (0.39) MEN1KMT2ATLR7GAATLR8
SCHEMBL1233130 0.78 GBA1 (0.40) MEN1KMT2ATLR7GAATLR8
SCHEMBL1233267 0.78 ALDH1A1 (0.46) TLR7TLR8LMNAPOLBHRH2
SCHEMBL1233314 0.77 TLR7 (0.39) TLR7TLR8LMNAPOLBHRH2
Trifluoroacetic Acid SCHEMBL1233243 0.77 TLR7 (0.38) TLR7GAATLR8NUDT1
SCHEMBL1233114 0.76 TLR7 (0.39) TLR7GAATLR8LMNAPOLB
SCHEMBL1233364 0.76 PRMT5 (0.39) MEN1KMT2ATLR7TLR8

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-8546383-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-01 US disclosed
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2012-09-13 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-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 MEN1 2062/4885KMT2A 3459/4885TLR7 132/4885

“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.