SCHEMBL23628873

SCHEMBL23628873

CC1(N)CCN(CC2CN(c3ccc(C#N)c4nccnc34)CC23CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.41
TLR7 Q9NYK1 5/20 0.41
TLR8 Q9NR97 5/20 0.41
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
KDM1A O60341 1/20 0.32
PRKCA P17252 2/20 0.32
PRKCQ Q04759 2/20 0.32
RET P07949 4/20 0.32
PTPN11 Q06124 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 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
SCHEMBL23628808 0.87 TLR8 (0.39) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL23760676 0.86 TLR8 (0.36) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL23628874 0.86 TLR9 (0.37) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL23628807 0.85 USP2 (0.38) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL23628846 0.83 TLR8 (0.36) TLR9TLR7TLR8
SCHEMBL23628837 0.83 USP2 (0.36) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL23628840 0.83 TLR8 (0.36) TLR9TLR7TLR8JAK2JAK1
SCHEMBL23628729 0.83 CDC42BPB (0.44) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL23628751 0.82 TLR9 (0.37) TLR9TLR7TLR8
SCHEMBL23628757 0.82 TLR8 (0.35) TLR9TLR7TLR8

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 TLR9 308/4885TLR7 229/4885TLR8 1800/4885

“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.