SCHEMBL23728487

SCHEMBL23728487

N#Cc1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.40
EPHB3 P54753 1/20 0.39
TGFBR1 P36897 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CCNT1 O60563 1/20 0.35
FLT3 P36888 1/20 0.35
PIK3CA P42336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 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
SCHEMBL23728573 0.81 KDM4E (0.53) TGFBR1KDM4E
SCHEMBL461050 0.79 FLT3 (0.44) IRAK4EPHB3TGFBR1L3MBTL1KDM4E
SCHEMBL461457 0.77 TGFBR1 (0.42) IRAK4TGFBR1L3MBTL1KDM4E
SCHEMBL359281 0.76 TYK2 (0.53) IRAK4TGFBR1L3MBTL1KDM4E
SCHEMBL405711 0.76 JAK2 (0.48) TGFBR1
SCHEMBL23744412 0.73 JAK2 (0.41) IRAK4TGFBR1L3MBTL1
SCHEMBL28650156 0.73 FGFR4 (0.44) IRAK4TGFBR1L3MBTL1KDM4E
SCHEMBL23728537 0.72 TGFBR1 (0.39) IRAK4TGFBR1L3MBTL1KDM4E
SCHEMBL18208833 0.72 SMPD3 (0.62) IRAK4EPHB3TGFBR1KDM4ECCNT1
SCHEMBL18208666 0.72 JAK2 (0.50) IRAK4TGFBR1

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 IRAK4 4/4885EPHB3 1710/4885TGFBR1 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.