SCHEMBL23628808

SCHEMBL23628808

N#Cc1ccc(N2CC(CN3CCC(N)CC3)C3(CC3)C2)c2nccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.39
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
HRH1 P35367 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
HRH2 P25021 2/20 0.32
KDM1A O60341 2/20 0.32
PTPN11 Q06124 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
CHEK1 O14757 1/20 0.31
DPP4 P27487 2/20 0.31
RET P07949 2/20 0.30

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
SCHEMBL23760708 0.89 TLR8 (0.50) TLR8TLR9TLR7NSD2NSD3
SCHEMBL23628846 0.88 TLR8 (0.36) TLR8TLR9TLR7
SCHEMBL23628840 0.87 TLR8 (0.36) TLR8TLR9TLR7JAK2JAK1
SCHEMBL23628873 0.87 TLR9 (0.41) TLR8TLR9TLR7JAK2JAK1
SCHEMBL23628874 0.87 TLR9 (0.37) TLR8TLR9TLR7ROCK2ROCK1
SCHEMBL23628751 0.87 TLR9 (0.37) TLR8TLR9TLR7HRH1HRH3
SCHEMBL23760676 0.85 TLR8 (0.36) TLR8TLR9TLR7HRH1HRH3
SCHEMBL23628779 0.85 TLR9 (0.36) TLR8TLR9TLR7JAK2TYK2
SCHEMBL23628761 0.85 TLR8 (0.37) TLR8TLR9TLR7KDM1APTPN11
SCHEMBL23628807 0.84 USP2 (0.38) TLR8TLR9TLR7KDM1AROCK2

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
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US claimed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP claimed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP 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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 TLR8 1800/4885TLR9 308/4885TLR7 229/4885

“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.