SCHEMBL25969611

SCHEMBL25969611

Cn1c(=O)[nH]c2cccc([C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3O)c21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.41
USP30 Q70CQ3 2/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
PIK3CD O00329 1/20 0.39
ADRB2 P07550 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
CCR5 P51681 1/20 0.38
PTK2 Q05397 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL30543622 1.00 PARP1 (0.41) PARP1USP30JAK2JAK3JAK1
SCHEMBL25339597 1.00 PARP1 (0.41) PARP1USP30JAK2JAK3JAK1
SCHEMBL25970683 0.89 PARP1 (0.40) PARP1USP30JAK2JAK3JAK1
SCHEMBL25970756 0.89 PARP1 (0.40) PARP1USP30JAK2JAK3JAK1
SCHEMBL31314088 0.89 PARP1 (0.40) PARP1USP30JAK2JAK3JAK1
SCHEMBL25339303 0.89 PARP1 (0.40) PARP1USP30JAK2JAK3JAK1
SCHEMBL30543718 0.89 PARP1 (0.40) PARP1USP30JAK2JAK3JAK1
SCHEMBL25970690 0.89 PARP1 (0.40) PARP1USP30JAK2JAK3JAK1
SCHEMBL25339489 0.86 ADRB2 (0.42) ADRB2OPRM1
SCHEMBL8802407 0.85 THRB (0.48) PARP1JAK2JAK3JAK1TYK2

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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
WO-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO 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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PARP1 85/4885USP30 148/4885JAK2 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.