SCHEMBL19010446

SCHEMBL19010446

CNC(=O)CC(C)(C)CN

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
CYP2D6 P10635 1/20 0.41
MCL1 Q07820 1/20 0.34
LMNA P02545 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
SCHEMBL14167250 0.79 MCL1 (0.33) KDM4EMCL1LMNA
SCHEMBL23893129 0.79 KDM4E (0.52) KDM4ECYP2D6
SCHEMBL14950892 0.78 KDM4E (0.38) KDM4ECYP2D6
SCHEMBL8496986 0.78 MCL1 (0.36) KDM4EMCL1LMNA
SCHEMBL14167272 0.77 LMNA (0.41) KDM4ECYP2D6MCL1LMNA
SCHEMBL19026674 0.77 KDM4E (0.50) KDM4ECYP2D6MCL1
SCHEMBL20224633 0.76 MCL1 (0.34) MCL1LMNA
SCHEMBL13544542 0.76 KDM4E (0.48) KDM4ECYP2D6MCL1LMNA
SCHEMBL21094212 0.76 MCL1 (0.34) MCL1LMNA
SCHEMBL13544816 0.76 MCL1 (0.34) MCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885CYP2D6 2791/4885MCL1 471/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1982/4885CYP2D6 2085/4885MCL1 698/4885

“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.