SCHEMBL21026332

SCHEMBL21026332

CC(C)(C)COC[C@H](O)CN1CCN(C(C)(C)CCC(C)(C)N2CCN(c3nccc(OCC(C)(C)C)n3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ HSP90AB1 P08238 12/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NUDT1 P36639 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
SCHEMBL22560597 1.00 KDM4E (0.41) KDM4EHSP90AB1MEN1KMT2AMAPK1
SCHEMBL18591843 0.76 NUDT1 (0.50) NUDT1
SCHEMBL19963613 0.75 MEN1 (0.40) KDM4EHSP90AB1MEN1KMT2AMAPK1
SCHEMBL20805384 0.73 ACHE (0.49) NUDT1
SCHEMBL18551580 0.72 NUDT1 (0.51) NUDT1
SCHEMBL18612073 0.72 USP2 (0.33) KDM4EHSP90AB1MAPK1ALDH1A1ALOX15
SCHEMBL20443370 0.71 ADRB1 (0.52) KDM4EALDH1A1NUDT1
SCHEMBL30229927 0.71 KDM4E (0.50) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL18591783 0.69 SMN1; SMN2 (0.40) KDM4EHSP90AB1MEN1KMT2AMAPK1
SCHEMBL18591803 0.69 SMN1; SMN2 (0.40) KDM4EHSP90AB1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 — — US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 — — US 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 (2 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 KDM4E 1071/4885HSP90AB1 1359/4885MEN1 2454/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KDM4E 1071/4885HSP90AB1 1359/4885MEN1 2454/4885

“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.

Send feedback