SCHEMBL21997577

SCHEMBL21997577

CC(C)(C)C1CN(Cc2ccc(CN)cc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
NCF1 P14598 1/20 0.42
CHKA P35790 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
S1PR5 Q9H228 8/20 0.40
AGTR2 P50052 1/20 0.39
MGLL Q99685 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CA1 P00915 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
GAA P10253 1/20 0.37
S1PR1 P21453 3/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL25317215 0.90 LMNA (0.46) CA2S1PR5AGTR2MGLLPTGDR2
SCHEMBL21996912 0.88 S1PR5 (0.40) S1PR5AGTR2MGLLPTGDR2S1PR1
SCHEMBL3773661 0.88 AGTR2 (0.50) CA2S1PR5AGTR2CA1CA4
SCHEMBL2326600 0.86 HRH3 (0.45) S1PR5HRH3
SCHEMBL211059 0.85 DRD2 (0.43) S1PR5AGTR2MGLLPTGDR2GAA
SCHEMBL5386962 0.83 DRD2 (0.41) AGTR2KDM4EALDH1A1
SCHEMBL1019006 0.82 NR1H2 (0.37) AGTR2
SCHEMBL3572416 0.76 ALOX15 (0.36)
SCHEMBL14033566 0.76 AGTR2 (0.46) S1PR5AGTR2PTGDR2KDM4EALDH1A1
SCHEMBL23922806 0.76 SMN1; SMN2 (0.48) KDM4EALDH1A1

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 CA2 4617/4885NCF1 2891/4885CHKA 798/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA2 4617/4885NCF1 2891/4885CHKA 798/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA2 4617/4885NCF1 2891/4885CHKA 798/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA2 4617/4885NCF1 2891/4885CHKA 798/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA2 4617/4885NCF1 2891/4885CHKA 798/4885

“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.