SCHEMBL23628860

SCHEMBL23628860

N#Cc1ccc(N2C[C@H](CN3CCNCC3)[C@@H](C(F)(F)F)C2)c2nccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.41
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
CDC7 O00311 1/20 0.33
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACVR1 Q04771 3/20 0.32
BMPR1B O00238 2/20 0.32
BMPR1A P36894 2/20 0.32
ACVR1B P36896 2/20 0.32
ACVRL1 P37023 2/20 0.32
NCF1 P14598 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL23760672 1.00 TLR8 (0.41) TLR8TLR9TLR7ROCK2ROCK1
SCHEMBL23628817 0.91 TLR8 (0.37) TLR8TLR9TLR7ROCK2ROCK1
SCHEMBL23760740 0.88 TLR8 (0.38) TLR8TLR9TLR7KDRSYK
SCHEMBL23628771 0.88 TLR8 (0.38) TLR8TLR9TLR7KDRSYK
SCHEMBL23628870 0.87 TLR8 (0.36) TLR8TLR9TLR7KDRSYK
SCHEMBL23760718 0.87 TLR8 (0.38) TLR8TLR9TLR7ROCK2ROCK1
SCHEMBL23628810 0.87 TLR8 (0.38) TLR8TLR9TLR7ROCK2ROCK1
SCHEMBL23628730 0.87 TLR8 (0.46) TLR8TLR9TLR7
SCHEMBL23628854 0.87 TLR8 (0.40) TLR8TLR9TLR7KDRSYK
SCHEMBL23628796 0.84 TLR8 (0.45) 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.