SCHEMBL21997553

SCHEMBL21997553

O=C(O)c1cc2nc(N3CC[C@@H](O)C3)ccn2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 6/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PRKDC P78527 1/20 0.40
PRKAB2 O43741 3/20 0.38
PRKAG1 P54619 3/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAA1 Q13131 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 3/20 0.38
PRKAB1 Q9Y478 3/20 0.38
NAPEPLD Q6IQ20 7/20 0.38
CYP2D6 P10635 1/20 0.37
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP9 Q86TI2 1/20 0.37
FGFR1 P11362 1/20 0.36
PTGER4 P35408 1/20 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
SCHEMBL21996816 1.00 SMPD3 (0.42) SMPD3APOBEC3AAPOBEC3GPRKDCPRKAB2
SCHEMBL21997705 0.93 SMPD3 (0.47) SMPD3APOBEC3AAPOBEC3GPRKAB2PRKAG1
SCHEMBL21997071 0.90 APOBEC3A (0.44) SMPD3APOBEC3AAPOBEC3GCYP2D6DPP4
SCHEMBL25338105 0.82 APOBEC3A (0.47) SMPD3APOBEC3AAPOBEC3G
SCHEMBL25339261 0.82 APOBEC3A (0.47) SMPD3APOBEC3AAPOBEC3G
SCHEMBL21997579 0.81 L3MBTL3 (0.40) SMPD3APOBEC3AAPOBEC3GNAPEPLD
SCHEMBL21996782 0.81 APOBEC3A (0.46) SMPD3APOBEC3AAPOBEC3G
SCHEMBL21997059 0.81 APOBEC3A (0.41) APOBEC3AAPOBEC3GCYP2D6DPP4KCNH2
SCHEMBL25338043 0.79 NR3C2 (0.42) APOBEC3AAPOBEC3G
SCHEMBL21997412 0.79 APOBEC3A (0.42) SMPD3APOBEC3AAPOBEC3G

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 SMPD3 2865/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 SMPD3 2865/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMPD3 2865/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMPD3 2865/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 SMPD3 2865/4885APOBEC3A 219/4885APOBEC3G 151/4885

“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.