SCHEMBL21070822

SCHEMBL21070822

Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CN3CCN(CCOC4CC(NC(=O)OC(C)(C)C)C4)CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 12/20 0.51
DDB1 Q16531 11/20 0.51
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
DRD3 P35462 1/20 0.34
IKZF3 Q9UKT9 1/20 0.33

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
SCHEMBL30241951 0.90 CRBN (0.55) CRBNDDB1IRAK4IKZF3
SCHEMBL30289493 0.90 DDB1 (0.55) CRBNDDB1PARP1PARP2DRD2
SCHEMBL30289081 0.90 DDB1 (0.54) CRBNDDB1PARP1PARP2IRAK4
SCHEMBL30289264 0.90 DDB1 (0.57) CRBNDDB1PARP1PARP2DRD2
SCHEMBL21107342 0.87 CRBN (0.61) CRBNDDB1IRAK4DRD2IKZF3
SCHEMBL21069482 0.87 CRBN (0.61) CRBNDDB1IRAK4DRD2IKZF3
SCHEMBL21070024 0.86 CRBN (0.53) CRBNDDB1PARP1IRAK4DRD2
SCHEMBL21106492 0.86 CRBN (0.53) CRBNDDB1PARP1IRAK4DRD2
SCHEMBL24379892 0.85 CRBN (0.58) CRBNDDB1IRAK4DRD2IKZF3
SCHEMBL30289475 0.84 DDB1 (0.56) CRBNDDB1PARP1PARP2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160143902-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY CONCERT PHARMACEUTICALS, INC. 2016-05-26 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 (5 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CRBN 187/4885DDB1 1267/4885PARP1 85/4885
US-20160143902-A1 COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY MAOB, DBH, SLC6A2 CRBN 2319/4885DDB1 888/4885PARP1 3786/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CRBN 187/4885DDB1 1267/4885PARP1 85/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CRBN 187/4885DDB1 1267/4885PARP1 85/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CRBN 187/4885DDB1 1267/4885PARP1 85/4885

“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.