SCHEMBL22835342

SCHEMBL22835342

O=C(O)c1ccn2cncc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 6/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXAS1 P24557 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
IDO1 P14902 2/20 0.35
MGAM O43451 1/20 0.34
TDO2 P48775 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GNE Q9Y223 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17730235 0.84 HRH4 (0.38) PTGS1PTGS2TSHRTBXAS1HRH4
SCHEMBL5820637 0.82 CNR2 (0.44) PTGS1PTGS2ALOX15IDO1TDO2
SCHEMBL5820869 0.77 LTA4H (0.42) KDM4ETSHRALDH1A1HPGDNPC1
SCHEMBL5816136 0.77 ALDH1A1 (0.42) KDM4ETSHRTDP1HRH4ALDH1A1
SCHEMBL23728610 0.74 PTGS1 (0.66) PTGS1PTGS2KDM4EALOX15TSHR
SCHEMBL1812266 0.71 HRH4 (0.58) PTGS1PTGS2KDM4EALOX15TSHR
SCHEMBL29528695 0.68 PTGS1 (0.57) PTGS1PTGS2KDM4EALOX15TSHR
SCHEMBL21362935 0.66 IDO1 (0.36) IDO1KMT2AMEN1
SCHEMBL21025471 0.66 IDO1 (0.36) KDM4EIDO1
SCHEMBL21362902 0.66 IDO1 (0.36) KDM4ETDP1IDO1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
CN-116514791-A Heterocycloimidazole-2-oxazoline compound and preparation method and application thereof 贵州大学 2023-08-01 CN disclosed
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
EP-3989966-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-05-04 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 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 (3 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-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTGS1 3012/4885PTGS2 3205/4885KDM4E 190/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 PTGS1 3359/4885PTGS2 3814/4885KDM4E 87/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTGS1 3012/4885PTGS2 3205/4885KDM4E 190/4885

“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.