SCHEMBL25339261

SCHEMBL25339261

O=C(O)c1cc2nc(N3CCC3)ccn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PTGER1 P34995 1/20 0.38
SMPD3 Q9NY59 4/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 4/20 0.36
PARP1 P09874 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
KMT2A Q03164 1/20 0.35
SYK P43405 1/20 0.35
KMO O15229 1/20 0.35
GNE Q9Y223 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL25338105 0.97 APOBEC3A (0.47) APOBEC3AAPOBEC3GPTGER1SMPD3CSNK2A2
SCHEMBL21996782 0.96 APOBEC3A (0.46) APOBEC3AAPOBEC3GSMPD3CSNK2A2CSNK2B
SCHEMBL21998149 0.89 KMO (0.46) APOBEC3AAPOBEC3GSMPD3KDM4EALDH1A1
SCHEMBL21996998 0.88 KMO (0.50) APOBEC3AAPOBEC3GSMPD3KDM4EALDH1A1
SCHEMBL21997075 0.88 APOBEC3A (0.43) APOBEC3AAPOBEC3GKDM4EPARP1ALDH1A1
SCHEMBL25341150 0.87 KDM4E (0.43) APOBEC3AAPOBEC3GKDM4EALDH1A1KMO
SCHEMBL21997705 0.87 SMPD3 (0.47) APOBEC3AAPOBEC3GSMPD3KDM4EALDH1A1
SCHEMBL21997753 0.84 PTGER4 (0.44) APOBEC3AAPOBEC3GKDM4EALDH1A1SYK
SCHEMBL21997071 0.83 APOBEC3A (0.44) APOBEC3AAPOBEC3GSMPD3KDM4EALDH1A1
SCHEMBL25339426 0.82 APOBEC3A (0.39) APOBEC3AAPOBEC3GKDM4EALDH1A1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
WO-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885PTGER1 2842/4885

“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.