SCHEMBL21996935

SCHEMBL21996935

CN(CC1CC1)c1ccn2nc(C(=O)O)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
BRD4 O60885 2/20 0.40
P2RY14 Q15391 4/20 0.39
FAAH O00519 1/20 0.36
HCAR3 P49019 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
CACNA1H O95180 1/20 0.33
ACACB O00763 1/20 0.33
NAPEPLD Q6IQ20 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CSF1R P07333 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL23728645 0.82 APOBEC3A (0.49) APOBEC3AAPOBEC3GP2RY14KDM4E
SCHEMBL23728535 0.74 APOBEC3A (0.53) APOBEC3AAPOBEC3GKDM4E
SCHEMBL21996870 0.74 PIM1 (0.45) APOBEC3AAPOBEC3GP2RY14KDM4EKDM4C
SCHEMBL21997257 0.74 NTRK1 (0.46) BRD4HCAR3KDM4EKDM4C
SCHEMBL21997579 0.71 L3MBTL3 (0.40) APOBEC3AAPOBEC3GFAAHNAPEPLD
SCHEMBL23728605 0.70 APOBEC3A (0.51) APOBEC3AAPOBEC3GKDM4E
SCHEMBL15287379 0.68 APOBEC3A (0.53) APOBEC3AAPOBEC3GKDM4E
SCHEMBL21998295 0.68 APOBEC3A (0.43) APOBEC3AAPOBEC3GKDM4E
SCHEMBL22672595 0.68 APOBEC3A (0.49) APOBEC3AAPOBEC3GHCAR3KDM4E
SCHEMBL21997705 0.68 SMPD3 (0.47) APOBEC3AAPOBEC3GKDM4E

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 APOBEC3A 219/4885APOBEC3G 151/4885BRD4 132/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885BRD4 132/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885BRD4 132/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885BRD4 132/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 APOBEC3A 219/4885APOBEC3G 151/4885BRD4 132/4885

“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.