SCHEMBL23728447

SCHEMBL23728447

CC(C)c1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TGFBR1 P36897 4/20 0.44
PDE2A O00408 1/20 0.37
STING1 Q86WV6 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYK2 P29597 4/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAP3K5 Q99683 1/20 0.36
HSD11B1 P28845 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 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
SCHEMBL26351968 0.88 TGFBR1 (0.46) KDM4ETGFBR1TYK2JAK2JAK1
SCHEMBL19030355 0.84 TGFBR1 (0.58) KDM4ETGFBR1STING1L3MBTL1TYK2
SCHEMBL23728509 0.82 TGFBR1 (0.52) KDM4ETGFBR1PDE2A
SCHEMBL359281 0.79 TYK2 (0.53) KDM4ETGFBR1PDE2AL3MBTL1TYK2
SCHEMBL461457 0.77 TGFBR1 (0.42) KDM4ETGFBR1PDE2ASTING1L3MBTL1
SCHEMBL13975698 0.77 SMPD3 (0.37) KDM4E
SCHEMBL24422759 0.76 SMPD3 (0.34) KDM4EPDE2AIRAK4
SCHEMBL29339727 0.76 SMPD3 (0.57) KDM4E
SCHEMBL17132579 0.76 SMPD3 (0.38) PDE2ATYK2IRAK4
SCHEMBL461050 0.76 FLT3 (0.44) KDM4ETGFBR1L3MBTL1TYK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 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 (1 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-20230122219-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KDM4E 190/4885TGFBR1 1014/4885PDE2A 3378/4885

“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.