SCHEMBL24525904

SCHEMBL24525904

CC(C)COC(=O)N1CCC(C(C)C)C(C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.45
JAK2 O60674 7/20 0.45
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.38
GPR119 Q8TDV5 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PIK3CD O00329 1/20 0.33
HDAC2 Q92769 1/20 0.33
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
IDH1 O75874 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL24525949 0.91 JAK1 (0.44) JAK1JAK2GPR119
SCHEMBL26810162 0.90 JAK1 (0.40) JAK1JAK2
SCHEMBL26810184 0.86 PDE4B (0.38) JAK1JAK2HSD11B1GAA
SCHEMBL24526028 0.86 JAK1 (0.42) JAK1JAK2GAA
SCHEMBL24525943 0.85 JAK1 (0.44) JAK1JAK2MAPTMEN1KMT2A
SCHEMBL24526210 0.85 JAK1 (0.44) JAK1JAK2
SCHEMBL24526227 0.85 JAK1 (0.43) JAK1JAK2
SCHEMBL24525906 0.85 JAK1 (0.44) JAK1JAK2
SCHEMBL24525944 0.84 JAK1 (0.43) JAK1JAK2
SCHEMBL24526230 0.84 JAK1 (0.44) JAK1JAK2GPR119DPP4

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 3 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-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 JAK1 2/4885JAK2 3/4885RAB9A 1933/4885
US-20220194965-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885RAB9A 1933/4885

“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.