SCHEMBL23628820

SCHEMBL23628820

CN(C)C1CCN(C[C@H]2CN(c3ccc(C#N)c4nccnc34)C[C@@H]2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NOS3 P29474 6/20 0.37
NOS1 P29475 6/20 0.37
NOS2 P35228 6/20 0.37
NSD2 O96028 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
WEE1 P30291 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPY1R P25929 1/20 0.32
TNIK Q9UKE5 1/20 0.32

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
SCHEMBL23628776 0.95 TLR8 (0.40) TLR8TLR9TLR7NOS3NOS1
SCHEMBL23760743 0.89 TLR8 (0.42) TLR8TLR9TLR7NOS3NOS1
SCHEMBL23628730 0.88 TLR8 (0.46) TLR8TLR9TLR7NSD2HRH3
SCHEMBL23628832 0.86 TLR8 (0.39) TLR8TLR9TLR7NOS3NOS1
SCHEMBL23628878 0.86 TLR8 (0.41) TLR8TLR9TLR7MEN1KMT2A
SCHEMBL23628813 0.85 TLR8 (0.42) TLR8TLR9TLR7NOS3NOS1
SCHEMBL23628740 0.85 TLR8 (0.39) TLR8TLR9TLR7HRH3HRH1
SCHEMBL23628802 0.85 TLR8 (0.40) TLR8TLR9TLR7
SCHEMBL23628860 0.85 TLR8 (0.41) TLR8TLR9TLR7
SCHEMBL23760672 0.85 TLR8 (0.41) TLR8TLR9TLR7

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.