SCHEMBL23728667

SCHEMBL23728667

CN(C)c1nn2cccnc2c1I

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.51
PIK3CG P48736 2/20 0.41
AXL P30530 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APOBEC3A P31941 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
HTR6 P50406 4/20 0.35
CDK2 P24941 1/20 0.33
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
HPGD P15428 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL16629030 0.77 PIK3CG (0.57) SMPD3PIK3CGAXLALDH1A1APOBEC3A
SCHEMBL31211823 0.74 SMPD3 (0.46) SMPD3PIK3CGALDH1A1APOBEC3AIRAK4
SCHEMBL31165797 0.73 AXL (0.47) SMPD3PIK3CGAXLAPOBEC3AIRAK4
SCHEMBL15336872 0.73 SMPD3 (0.47) SMPD3PIK3CGAXLJAK2JAK3
SCHEMBL30852918 0.73 PIK3CG (0.41) SMPD3PIK3CGAXLALDH1A1APOBEC3A
SCHEMBL31211903 0.71 ALDH1A1 (0.42) SMPD3ALDH1A1APOBEC3AHPGD
SCHEMBL31259841 0.68 SMPD3 (1.00) SMPD3AXLALDH1A1IRAK4CDK2
SCHEMBL17460398 0.67 BRD4 (0.45) ALDH1A1APOBEC3AIRAK4HPGD
SCHEMBL17460383 0.67 HPGD (0.50) ALDH1A1APOBEC3AIRAK4HPGD
SCHEMBL17460376 0.66 KCNQ3 (0.41) PIK3CGALDH1A1APOBEC3AIRAK4HTR6

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 SMPD3 2865/4885PIK3CG 354/4885AXL 356/4885

“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.