SCHEMBL23214501

SCHEMBL23214501

CCOC(=O)c1nccn1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 2/20 0.38
JMJD6 Q6NYC1 2/20 0.37
MAPK14 Q16539 2/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
NOS2 P35228 1/20 0.36
WDR5 P61964 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
SCHEMBL30554033 0.94 ALDH1A1 (0.40) GRK6ADORA3ADORA2BALDH1A1KDM4E
SCHEMBL30554006 0.94 ALDH1A1 (0.43) ADORA3ADORA2BALDH1A1HPGDTSHR
SCHEMBL30554017 0.87 ADORA2B (0.41) GRK6ADORA3ADORA2BALDH1A1KDM4E
SCHEMBL28413505 0.87 ADORA3 (0.41) ADORA3ADORA2BALDH1A1KDM4EHPGD
SCHEMBL1564295 0.79 P2RY12 (0.40) ADORA3ADORA2BALDH1A1HPGDHSD17B10
SCHEMBL1822302 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10JMJD6
SCHEMBL28411151 0.75 LMNA (0.38) KDM4EHSD17B10
SCHEMBL12706154 0.74 LPO (0.42) ALDH1A1KDM4EHPGDHSD17B10JMJD6
SCHEMBL12422223 0.74 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10JMJD6
SCHEMBL3809364 0.74 LPO (0.44) ALDH1A1KDM4EHPGDHSD17B10JMJD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
CN-111187218-B Application of 1-substituted-1H-imidazole-2-carboxylic acid compound in preparation of metal beta-lactamase inhibitor 四川大学 2023-08-04 CN disclosed
CN-111253317-B 1-substituted-1H-imidazole-2-carboxylic acid compound 四川大学 2023-08-04 CN disclosed
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 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 (1 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-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD GRK6 2560/4885ADORA3 3739/4885ADORA2B 3744/4885

“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.