SCHEMBL21997106

SCHEMBL21997106

CC(C)(C)N(CCc1ccc(CCN)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 9/20 0.41
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL1845384 0.90 MEN1 (0.46) KMT2AL3MBTL1MEN1HTTALDH1A1
Dopamine SCHEMBL30318835 0.87 KDM4E (0.57) KMT2AMEN1TAAR1ALDH1A1CYP1A2
SCHEMBL1027884 0.85 MEN1 (0.47) KMT2AL3MBTL1MEN1HTTTAAR1
SCHEMBL2881402 0.85 PPARA (0.49) KMT2AL3MBTL1MEN1HTTALDH1A1
SCHEMBL1935310 0.85 MEN1 (0.47) KMT2AL3MBTL1MEN1HTTALDH1A1
SCHEMBL4147783 0.85 ESRRG (0.49) KMT2AL3MBTL1MEN1HTTALDH1A1
SCHEMBL21247482 0.84 KMT2A (0.63) KMT2AL3MBTL1MEN1HTTTAAR1
SCHEMBL11898599 0.83 MEN1 (0.46) KMT2AL3MBTL1MEN1HTTALDH1A1
SCHEMBL1935745 0.83 MEN1 (0.46) KMT2AL3MBTL1MEN1HTTTAAR1
SCHEMBL2575721 0.83 TAAR1 (0.50) KMT2AL3MBTL1MEN1HTTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
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
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 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 (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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KMT2A 445/4885L3MBTL1 1394/4885MEN1 4055/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KMT2A 445/4885L3MBTL1 1394/4885MEN1 4055/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KMT2A 445/4885L3MBTL1 1394/4885MEN1 4055/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KMT2A 445/4885L3MBTL1 1394/4885MEN1 4055/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KMT2A 445/4885L3MBTL1 1394/4885MEN1 4055/4885

“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.