SCHEMBL23214426

SCHEMBL23214426

CCCn1cc(Br)nc(OC)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33
TNF P01375 1/20 0.32
TYR P14679 1/20 0.32
PIK3CA P42336 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL23214051 0.82 ALDH1A1 (0.37) GRM2ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL23214023 0.78 CYP1A2 (0.36) ALDH1A1GAAHPGDSMN1; SMN2BRD9
SCHEMBL31132987 0.78 DUT (0.39)
SCHEMBL31132828 0.76 BRD4 (0.52) GAAHPGDBRD4
SCHEMBL23214411 0.68 TYR (0.38) ALDH1A1HPGDSMN1; SMN2BRD4LMNA
SCHEMBL925383 0.65 BRD4 (0.35) ALDH1A1BRD4
SCHEMBL31275212 0.65 GABRA1 (0.35) CCR4
SCHEMBL13694927 0.63 ALPL (0.34) ALDH1A1BRD4
SCHEMBL23121684 0.63 TYR (0.40) ALDH1A1HPGDSMN1; SMN2LMNATNF
SCHEMBL29130901 0.63 LRRK2 (0.31) ALDH1A1GAASMN1; SMN2NPC1TNF

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 GRM2 3910/4885ALDH1A1 54/4885GAA 263/4885

“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.