SCHEMBL24526042

SCHEMBL24526042

CCC1CN(Cc2cc(C)on2)CCC1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.39
TLR8 Q9NR97 6/20 0.39
TLR7 Q9NYK1 6/20 0.39
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PRKAA2 P54646 1/20 0.33
AURKA O14965 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE9A O76083 1/20 0.32
PDE1C Q14123 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
SCHEMBL15468520 0.83 TLR9 (0.41) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12424320 0.80 TLR9 (0.38) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12425852 0.76 MAPT (0.42) TLR9TLR8TLR7MAPTRECQL
SCHEMBL15214318 0.76 L3MBTL1 (0.46) TLR9TLR8TLR7MAPTRECQL
SCHEMBL14375262 0.72 KDM4E (0.51) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12727215 0.72 MAPT (0.40) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12384403 0.72 TLR9 (0.38) TLR9TLR8TLR7MAPTRECQL
SCHEMBL15014579 0.71 TLR9 (0.39) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12384858 0.69 MAPT (0.41) TLR9TLR8TLR7MAPTRECQL
SCHEMBL18932538 0.69 MAPT (0.41) TLR9TLR8TLR7MAPTRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2023-11-28 US disclosed
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH, INC. 2022-06-23 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 (2 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-11827657-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 TLR9 306/4885TLR8 518/4885TLR7 390/4885
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 TLR9 306/4885TLR8 518/4885TLR7 390/4885

“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.