SCHEMBL22849321

SCHEMBL22849321

COC(=O)[C@H]1CC[C@H](Oc2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2J2 P51589 2/20 0.40
ATR Q13535 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 2/20 0.40
ALOX15 P16050 1/20 0.39
ACACB O00763 3/20 0.39
MAP4K4 O95819 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38

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
SCHEMBL21997067 1.00 EPHX2 (0.43) EPHX2ALDH1A1KDM4ENAMPTCYP2C9
Formic Acid SCHEMBL30258037 0.94 ALDH1A1 (0.41) EPHX2ALDH1A1KDM4ENAMPTCYP2C9
SCHEMBL21673845 0.86 LATS1 (0.43) EPHX2ALDH1A1KDM4ECYP2C9CYP2J2
SCHEMBL7398139 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTL3MBTL1ACACB
SCHEMBL14127687 0.85 POLB (0.49) ALDH1A1KDM4ECYP19A1MEN1KMT2A
SCHEMBL14127689 0.85 POLB (0.49) ALDH1A1KDM4ECYP19A1MEN1KMT2A
SCHEMBL14127783 0.85 POLB (0.49) ALDH1A1KDM4ECYP19A1MEN1KMT2A
SCHEMBL26351289 0.84 EPHX2 (0.42) EPHX2NAMPTCYP2C9CYP2J2MAPT
SCHEMBL2473042 0.84 ALDH1A1 (0.49) EPHX2ALDH1A1MAPTSMN1; SMN2DGAT1
SCHEMBL2469594 0.84 ALDH1A1 (0.49) EPHX2ALDH1A1MAPTSMN1; SMN2DGAT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 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
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 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 EPHX2 1890/4885ALDH1A1 2776/4885KDM4E 190/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX2 1890/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX2 1890/4885ALDH1A1 2776/4885KDM4E 190/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX2 1890/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX2 1890/4885ALDH1A1 2776/4885KDM4E 190/4885

“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.