SCHEMBL21074147

SCHEMBL21074147

N=C(N)NCC[C@H]1COCc2nc3c(N)nc4ccccc4c3n21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.37
TLR8 Q9NR97 8/20 0.36
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
SCHEMBL19917075 0.94 TLR7 (0.37) TLR7TLR8
SCHEMBL21074153 0.94 TLR7 (0.37) TLR7TLR8
Hydrochloric Acid SCHEMBL21074149 0.94 TLR7 (0.37) TLR7TLR8
SCHEMBL21074148 0.93 TLR7 (0.37) TLR7TLR8
SCHEMBL21074145 0.90 TLR7 (0.38) TLR7TLR8NUDT1
SCHEMBL2513263 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL1773748 0.83 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL9979161 0.83 TLR7 (0.44) TLR7TLR8
SCHEMBL2514666 0.82 TLR7 (0.42) TLR7TLR8
SCHEMBL2520325 0.82 TLR7 (0.42) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889158-B1 FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-03 EP disclosed
EP-3504215-B1 FUSED [1,2]IMIDAZO[4,5-C]RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2022-04-06 EP disclosed
EP-3889158-A1 FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS 3M Innovative Properties Company (US) 2021-10-06 EP disclosed
US-10414779-B2 Fused [1,2]imidazo[4,5-C] ring compounds substituted with guanidino groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-09-17 US disclosed
US-20190194226-A1 FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2019-06-27 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 (2 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-20190194226-A1 FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS IFNG, IRF3, STING1 TLR7 56/4885TLR8 232/4885NUDT1 519/4885
US-10414779-B2 Fused [1,2]imidazo[4,5-C] ring compounds substituted with guanidino groups IFNG, IRF3, STING1 TLR7 56/4885TLR8 232/4885NUDT1 519/4885

“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.