SCHEMBL23214483

SCHEMBL23214483

C=CCn1cc(Br)nc(Br)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
GLA P06280 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ADORA2B P29275 2/20 0.36
USP2 O75604 1/20 0.35
ALOX12 P18054 1/20 0.35
BRD4 O60885 1/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL23214023 0.79 CYP1A2 (0.36) CYP3A4CYP1A2CYP2D6KDM4EHPGD
SCHEMBL4840985 0.73 CSNK2A2 (0.35) CYP3A4CYP1A2CYP2D6ADORA2BADORA2A
SCHEMBL142961 0.69 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6KDM4EHPGD
SCHEMBL148154 0.67 CYP3A4 (0.39) CYP3A4CYP1A2CYP2D6KDM4EHPGD
SCHEMBL11167293 0.66 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6KDM4EHPGD
SCHEMBL171024 0.65 BRD4 (0.40) KDM4EALDH1A1GAAGLABRD4
SCHEMBL10748450 0.61 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6KDM4EHPGD
SCHEMBL29069951 0.61 CYP3A4 (0.37) CYP3A4CYP1A2CYP2D6KDM4EHPGD
SCHEMBL4564516 0.61 GRIA1 (0.49) CYP1A2ALDH1A1GAAMEN1KMT2A
SCHEMBL6675403 0.61 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6KDM4EHPGD

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 6 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
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 (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 CYP3A4 437/4885CYP1A2 259/4885CYP2D6 144/4885

“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.