SCHEMBL22917009

SCHEMBL22917009

CNC(=O)C#CCNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
PAOX Q6QHF9 3/20 0.34
ADRA1A P35348 1/20 0.33
SOST Q9BQB4 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL21423711 0.82 KDM4E (0.41) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL23011843 0.80 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12824234 0.76 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A
Acetic Acid SCHEMBL17274507 0.74 GRIK1 (0.33)
SCHEMBL10739303 0.72 KDM4E (0.43) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL18869913 0.71
SCHEMBL15304864 0.71 KDM4E (0.34) KDM4EMAPK1HIF1ASOSTTSHR
SCHEMBL85842 0.70
SCHEMBL13978172 0.70
SCHEMBL8596857 0.70 PTPN7 (0.47) KDM4EALDH1A1

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-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 KDM4E 4107/4885MAPK1 329/4885HIF1A 2291/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 KDM4E 4107/4885MAPK1 329/4885HIF1A 2291/4885

“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.