SCHEMBL25338043

SCHEMBL25338043

C[C@@H]1CN(c2ccn3nc(C(=O)O)cc3n2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.42
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3C2B O00750 1/20 0.39
MTOR P42345 1/20 0.39
AKT1 P31749 4/20 0.39
ATM Q13315 5/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KIF18A Q8NI77 5/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MAP3K7 O43318 2/20 0.36

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
SCHEMBL21997931 0.86 SMN1; SMN2 (0.42) ATMAPOBEC3AAPOBEC3GPIK3CA
SCHEMBL21997345 0.86 SMN1; SMN2 (0.42) ATMAPOBEC3AAPOBEC3GPIK3CA
SCHEMBL21998305 0.86 SMN1; SMN2 (0.42) ATMAPOBEC3AAPOBEC3GPIK3CA
SCHEMBL21996998 0.82 KMO (0.50) APOBEC3AAPOBEC3GPIK3CAPIK3CB
SCHEMBL21997553 0.79 SMPD3 (0.42) APOBEC3AAPOBEC3G
SCHEMBL21996816 0.79 SMPD3 (0.42) APOBEC3AAPOBEC3G
SCHEMBL21997071 0.78 APOBEC3A (0.44) APOBEC3AAPOBEC3G
SCHEMBL21998149 0.78 KMO (0.46) APOBEC3AAPOBEC3GPIK3CAPIK3CB
SCHEMBL25339261 0.78 APOBEC3A (0.47) APOBEC3AAPOBEC3G
SCHEMBL25338105 0.78 APOBEC3A (0.47) APOBEC3AAPOBEC3G

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 NR3C2 3415/4885PIK3CD 321/4885PIK3CG 354/4885

“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.