SCHEMBL21997705

SCHEMBL21997705

O=C(O)c1cc2nc(N3CCC(O)CC3)ccn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.47
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PTGER4 P35408 2/20 0.42
FGFR1 P11362 1/20 0.42
CFTR P13569 1/20 0.38
HSD11B1 P28845 2/20 0.36
IKBKB O14920 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ACKR3 P25106 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL21996816 0.93 SMPD3 (0.42) SMPD3APOBEC3AAPOBEC3GPTGER4FGFR1
SCHEMBL21997553 0.93 SMPD3 (0.42) SMPD3APOBEC3AAPOBEC3GPTGER4FGFR1
SCHEMBL21997071 0.87 APOBEC3A (0.44) SMPD3APOBEC3AAPOBEC3GKDM4EALDH1A1
SCHEMBL25338105 0.87 APOBEC3A (0.47) SMPD3APOBEC3AAPOBEC3GHSD11B1KDM4E
SCHEMBL25339261 0.87 APOBEC3A (0.47) SMPD3APOBEC3AAPOBEC3GKDM4EALDH1A1
SCHEMBL21997579 0.85 L3MBTL3 (0.40) SMPD3APOBEC3AAPOBEC3GIKBKBL3MBTL1
SCHEMBL21996782 0.85 APOBEC3A (0.46) SMPD3APOBEC3AAPOBEC3GHSD11B1KDM4E
SCHEMBL21996998 0.83 KMO (0.50) SMPD3APOBEC3AAPOBEC3GCFTRKDM4E
SCHEMBL21997075 0.83 APOBEC3A (0.43) APOBEC3AAPOBEC3GKDM4EALDH1A1MEN1
SCHEMBL25341150 0.82 KDM4E (0.43) APOBEC3AAPOBEC3GKDM4EALDH1A1LMNA

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 9 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
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 (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.