SCHEMBL23744975

SCHEMBL23744975

CN(C)c1ccnc2c(C(=O)O)cnn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 1/20 0.48
MAP2K1 Q02750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
HPGD P15428 1/20 0.41
TLR8 Q9NR97 1/20 0.40
PIM1 P11309 4/20 0.39
LIMK1 P53667 2/20 0.39
CREBBP Q92793 1/20 0.39
GSK3A P49840 3/20 0.39
MAPK13 O15264 2/20 0.39
EPHA2 P29317 1/20 0.39
MARK2 Q7KZI7 1/20 0.39
AKT1 P31749 1/20 0.39
PIM3 Q86V86 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK9 P45984 1/20 0.37

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
SCHEMBL11894259 0.85 KDM4E (0.48) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL23728502 0.85 KDM4E (0.45) KDM4EALDH1A1MAP2K1CLK4DYRK1B
SCHEMBL359062 0.79 KDM4E (0.57) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL30309818 0.77 KDM4E (0.46) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL2462603 0.77 KDM4E (0.57) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL10408157 0.77 KDM4E (0.57) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL23728533 0.76 KDM4E (0.54) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL23728449 0.76 KDM4E (0.37) KDM4ECLK4DYRK1BDYRK1A
SCHEMBL10407220 0.76 KDM4E (0.56) KDM4EALDH1A1TDP1MAP2K1CLK4
SCHEMBL23728541 0.75 HSD11B1 (0.53) KDM4EALDH1A1TDP1MAP2K1CLK4

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 3 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

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 190/4885ALDH1A1 2776/4885TDP1 236/4885

“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.