SCHEMBL24781663

SCHEMBL24781663

CC(=O)N(C)C/C=C/C(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23308473 0.81 KDM4E (0.36) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL9004468 0.81 KDM4E (0.36) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL23156775 0.79 CHRM1 (0.37) CHRM1
SCHEMBL20975008 0.77 TSHR (0.41) ALDH1A1MAPTNPSR1TDP1CHRM1
SCHEMBL26522542 0.76 KDM4E (0.33) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL19293604 0.73 PAX8 (0.38) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL25762055 0.73 CHRNB2 (0.35) CHRM1
SCHEMBL24781657 0.72 KDM4E (0.31) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL21101598 0.72 LSS (0.37) KDM4EALDH1A1MAPTMEN1GAA
SCHEMBL19295449 0.72 KDM4E (0.31) KDM4EALDH1A1MAPTMEN1GAA

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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20220389021-A1 INHIBITORS OF KRAS G12C BEONE MEDICINES I GMBH (CH) 2022-12-08 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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS KDM4E 3093/4885ALDH1A1 3193/4885MAPT 4139/4885
US-20220389021-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDM4E 3634/4885ALDH1A1 3777/4885MAPT 4289/4885

“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.