SCHEMBL21997579

SCHEMBL21997579

CN(C)C1CCN(c2ccn3nc(C(=O)O)cc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SMPD3 Q9NY59 3/20 0.39
IKBKB O14920 1/20 0.38
PARP1 P09874 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
BTK Q06187 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
RBP4 P02753 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL21997705 0.85 SMPD3 (0.47) APOBEC3AAPOBEC3GSMPD3IKBKBL3MBTL1
SCHEMBL25339261 0.82 APOBEC3A (0.47) APOBEC3AAPOBEC3GSMPD3PARP1
SCHEMBL25338105 0.82 APOBEC3A (0.47) APOBEC3AAPOBEC3GSMPD3PARP1
SCHEMBL21997075 0.82 APOBEC3A (0.43) APOBEC3AAPOBEC3GPARP1HRH4HRH3
SCHEMBL21996782 0.81 APOBEC3A (0.46) APOBEC3AAPOBEC3GSMPD3PARP1L3MBTL1
SCHEMBL21996816 0.81 SMPD3 (0.42) APOBEC3AAPOBEC3GSMPD3NAPEPLD
SCHEMBL21997553 0.81 SMPD3 (0.42) APOBEC3AAPOBEC3GSMPD3NAPEPLD
SCHEMBL21996998 0.79 KMO (0.50) APOBEC3AAPOBEC3GSMPD3NAPEPLDPIK3CA
SCHEMBL21997753 0.79 PTGER4 (0.44) APOBEC3AAPOBEC3GHRH3OPRD1
SCHEMBL25341150 0.78 KDM4E (0.43) APOBEC3AAPOBEC3GNAPEPLDFAAH

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 L3MBTL3 1788/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 L3MBTL3 1788/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 L3MBTL3 1788/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 L3MBTL3 1788/4885APOBEC3A 219/4885APOBEC3G 151/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 L3MBTL3 1788/4885APOBEC3A 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.