SCHEMBL23760693

SCHEMBL23760693

C[C@H]1CN(c2ccc(C#N)c3nccnc23)C[C@@H]1CNC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.51
TLR7 Q9NYK1 5/20 0.51
TLR8 Q9NR97 4/20 0.51
KDR P35968 1/20 0.32
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.32
ROCK2 O75116 4/20 0.31
ROCK1 Q13464 4/20 0.31
CDC42BPB Q9Y5S2 4/20 0.31
NOS2 P35228 4/20 0.31
CDC42BPA Q5VT25 2/20 0.31
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
AR P10275 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
SCHEMBL23628752 0.87 TLR9 (0.41) TLR9TLR7TLR8KDRSYK
SCHEMBL23760671 0.80 NCF1 (0.34) TLR9TLR7TLR8
SCHEMBL23628806 0.76 TLR9 (0.45) TLR9TLR7TLR8SYKROCK2
SCHEMBL23628865 0.76 TLR9 (0.38) TLR9TLR7TLR8KDRSYK
SCHEMBL23760691 0.75 TLR9 (0.43) TLR9TLR7TLR8KDRSYK
SCHEMBL26272594 0.73 TLR8 (0.55) TLR9TLR7TLR8ROCK2ROCK1
SCHEMBL21795383 0.73 TLR9 (0.78) TLR9TLR7TLR8
SCHEMBL21795387 0.73 TLR9 (0.78) TLR9TLR7TLR8
SCHEMBL20658625 0.73 TLR8 (0.54) TLR9TLR7TLR8
SCHEMBL20670315 0.73 TLR8 (0.54) 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 1 patent. 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 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.