SCHEMBL21996845

SCHEMBL21996845

CC(C)(O)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GPR35 Q9HC97 3/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 1/20 0.32
KCNMA1 Q12791 1/20 0.32

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
SCHEMBL29023694 0.85 ALDH1A1 (0.46) ALDH1A1GPR35HTTNPSR1KMT2A
SCHEMBL17459027 0.77 ALDH1A1 (0.40) ALDH1A1GPR35NPSR1KDM4ELMNA
SCHEMBL20516267 0.74 ALDH1A1 (0.34) ALDH1A1GPR35NPSR1KMT2AKDM4E
SCHEMBL21835609 0.74 CYP3A4 (0.35) ALDH1A1HTTNPSR1KDM4ELMNA
SCHEMBL266568 0.70
SCHEMBL2735688 0.70
SCHEMBL25690531 0.70
SCHEMBL21996840 0.69 ALDH1A1 (0.38) ALDH1A1GPR35HTTNPSR1KMT2A
SCHEMBL27786236 0.69 MAPT (0.43) ALDH1A1GPR35HTTNPSR1KMT2A
SCHEMBL25311661 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 EP disclosed
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 US disclosed
US-12258341-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2025-03-25 US disclosed
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-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-13 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 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
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
CN-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US 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 (8 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-12258341-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885GPR35 3025/4885HTT 2464/4885

“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.