SCHEMBL21997257

SCHEMBL21997257

CN(CC1CC1)c1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.46
SMPD3 Q9NY59 3/20 0.42
TGFBR1 P36897 2/20 0.39
JAK2 O60674 2/20 0.38
HSD11B1 P28845 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
HCAR3 P49019 1/20 0.36
NFE2L2 Q16236 1/20 0.36
BRD4 O60885 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21997996 0.87 NTRK1 (0.45) NTRK1SMPD3TGFBR1KDM4E
SCHEMBL21997192 0.82 SMPD3 (0.43) NTRK1SMPD3TGFBR1JAK2HSD11B1
SCHEMBL18208833 0.81 SMPD3 (0.62) NTRK1SMPD3TGFBR1JAK2IRAK4
SCHEMBL19237237 0.79 SMPD3 (0.43) NTRK1SMPD3TGFBR1JAK2HCAR3
SCHEMBL23788051 0.77 SMPD3 (0.41) NTRK1SMPD3TGFBR1JAK2IRAK4
SCHEMBL19614117 0.75 NTRK1 (0.44) NTRK1SMPD3TGFBR1JAK2CSNK2A2
SCHEMBL21996935 0.74 APOBEC3A (0.41) KDM4CHCAR3BRD4KDM4E
SCHEMBL21996801 0.73 PIM1 (0.56) NTRK1KDM4CIRAK4
SCHEMBL359281 0.73 TYK2 (0.53) TGFBR1JAK2HSD11B1IRAK4KDM4E
SCHEMBL16946723 0.72 NTRK1 (0.50) NTRK1SMPD3TGFBR1JAK2CSNK2A2

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 15 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-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
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 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 NTRK1 1208/4885SMPD3 2865/4885TGFBR1 1014/4885

“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.