SCHEMBL21998149

SCHEMBL21998149

O=C(O)c1cc2nc(N3CCCOCC3)ccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
PKM P14618 1/20 0.44
PIK3CA P42336 1/20 0.42
SMPD3 Q9NY59 2/20 0.41
KDM4E B2RXH2 5/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PRKDC P78527 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL21996998 0.95 KMO (0.50) KMOPKMPIK3CASMPD3KDM4E
SCHEMBL25338105 0.89 APOBEC3A (0.47) SMPD3KDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL25339261 0.89 APOBEC3A (0.47) KMOSMPD3KDM4EAPOBEC3AAPOBEC3G
SCHEMBL21996782 0.87 APOBEC3A (0.46) SMPD3KDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL21997075 0.80 APOBEC3A (0.43) PKMKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL25339426 0.80 APOBEC3A (0.39) KMOPKMPIK3CAKDM4EAPOBEC3A
SCHEMBL25341150 0.79 KDM4E (0.43) KMOKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL21997705 0.79 SMPD3 (0.47) SMPD3KDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL21998157 0.79 APOBEC3A (0.36) KMOKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL25339860 0.78 APOBEC3A (0.38) KMOPKMPIK3CAKDM4EAPOBEC3A

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 7 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-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US 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-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 (5 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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KMO 357/4885PKM 1372/4885PIK3CA 142/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KMO 357/4885PKM 1372/4885PIK3CA 142/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KMO 357/4885PKM 1372/4885PIK3CA 142/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KMO 357/4885PKM 1372/4885PIK3CA 142/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 KMO 357/4885PKM 1372/4885PIK3CA 142/4885

“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.