SCHEMBL21996782

SCHEMBL21996782

O=C(O)c1cc2nc(N3CCCCC3)ccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SMPD3 Q9NY59 4/20 0.42
PARP1 P09874 2/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.99 APOBEC3A (0.47) APOBEC3AAPOBEC3GSMPD3PARP1HSD17B14
SCHEMBL25339261 0.96 APOBEC3A (0.47) APOBEC3AAPOBEC3GSMPD3PARP1HSD17B14
SCHEMBL21998149 0.87 KMO (0.46) APOBEC3AAPOBEC3GSMPD3NPC1RAB9A
SCHEMBL21996998 0.86 KMO (0.50) APOBEC3AAPOBEC3GSMPD3KMT2AALDH1A1
SCHEMBL21997075 0.86 APOBEC3A (0.43) APOBEC3AAPOBEC3GPARP1HSD17B14NPC1
SCHEMBL25341150 0.85 KDM4E (0.43) APOBEC3AAPOBEC3GALDH1A1KDM4E
SCHEMBL21997705 0.85 SMPD3 (0.47) APOBEC3AAPOBEC3GSMPD3KMT2APOLB
SCHEMBL21997753 0.83 PTGER4 (0.44) APOBEC3AAPOBEC3GALDH1A1HSD11B1KDM4E
SCHEMBL21997071 0.82 APOBEC3A (0.44) APOBEC3AAPOBEC3GSMPD3ALDH1A1KDM4E
SCHEMBL25339426 0.81 APOBEC3A (0.39) APOBEC3AAPOBEC3GALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
WO-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 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 (6 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 151/4885SMPD3 2865/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885SMPD3 2865/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885SMPD3 2865/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885SMPD3 2865/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885SMPD3 2865/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885SMPD3 2865/4885

“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.