SCHEMBL23213685

SCHEMBL23213685

COC(=O)c1cc(Br)nn1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
OPRK1 P41145 8/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAT P00750 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL23213997 0.84 KMT2A (0.39) OPRK1ALDH1A1KMT2APLAT
SCHEMBL31728299 0.82 PLAT (0.34) KCNH2OPRK1ALDH1A1KDM4EHPGD
SCHEMBL27258230 0.81 SLC6A3 (0.37) KCNH2ALDH1A1KDM4EGAAHPGD
SCHEMBL27256143 0.80 HCAR3 (0.39) ALDH1A1KDM4E
SCHEMBL26976528 0.80 PDK1 (0.41) KCNH2ALDH1A1KDM4EGAAHPGD
SCHEMBL30961175 0.80 KDM4E (0.31) KCNH2OPRK1ALDH1A1KDM4EGAA
SCHEMBL20519602 0.79 ATR (0.37) OPRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6035336 0.76 ALDH1A1 (0.42) OPRK1ALDH1A1KDM4EGAAATM
SCHEMBL28360887 0.76 OPRK1 (0.32) OPRK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31729368 0.76 OPRK1 (0.33) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-09-18 US disclosed
WO-2025090658-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-05-01 WO disclosed
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
WO-2024133426-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
WO-2024133426-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO 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
EP-4041714-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-08-17 EP disclosed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN 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 (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-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF CDK2, CDK20, CDK1 KCNH2 3764/4885OPRK1 3767/4885ALDH1A1 3042/4885
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD KCNH2 2346/4885OPRK1 2982/4885ALDH1A1 54/4885

“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.