SCHEMBL23945869

SCHEMBL23945869

CC(C)(C)OC(=O)C1CCC2(CC1)CNC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MAPK1 P28482 1/20 0.34
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
BTK Q06187 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL12002951 0.85 HRH3 (0.44) HRH3MAPK1JAK2JAK1MEN1
SCHEMBL20918704 0.82 HRH3 (0.42) HRH3MAPK1JAK2JAK1MEN1
SCHEMBL31334788 0.82 MAPK1 (0.36) HRH3MAPK1MEN1KMT2A
SCHEMBL2633813 0.82 HRH3 (0.42) HRH3MAPK1JAK2JAK1MEN1
SCHEMBL2223446 0.81 HRH3 (0.41) HRH3MAPK1MEN1ALDH1A1KMT2A
SCHEMBL3163753 0.81 HRH3 (0.41) HRH3MAPK1JAK2JAK1MEN1
SCHEMBL26127504 0.80 CHRNB2 (0.47) ALDH1A1
SCHEMBL30686990 0.79 HRH3 (0.40) HRH3MAPK1JAK2JAK1MEN1
SCHEMBL20512435 0.79 MAPK1 (0.34) HRH3MAPK1MEN1KMT2A
SCHEMBL25341759 0.79 HRH3 (0.35) HRH3MAPK1

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HRH3 3631/4885MAPK1 2017/4885JAK2 184/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885MAPK1 2017/4885JAK2 184/4885

“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.