SCHEMBL25256689

SCHEMBL25256689

COc1ccnc(-n2cc(Br)c(C(F)(F)F)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
HCRTR1 O43613 8/20 0.33
HCRTR2 O43614 8/20 0.33
LCAT P04180 1/20 0.33
OGA O60502 1/20 0.33
CRHR1 P34998 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL30276678 1.00 RXRA (0.35) RXRAGRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL25414850 0.77 NR1H2 (0.31) RXRAGRIN1GRIN2BLCAT
SCHEMBL29437675 0.77 NR1H2 (0.31) RXRAGRIN1GRIN2BLCAT
SCHEMBL30276132 0.73 GRM2 (0.35) HCRTR1HCRTR2LCAT
SCHEMBL31749086 0.71 HCRTR1 (0.36) HCRTR1HCRTR2OGA
SCHEMBL24920785 0.68 ALKBH1 (0.41) RXRAGRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL30508619 0.67 TSHR (0.42)
SCHEMBL16547539 0.66 NPSR1 (0.43) HCRTR1HCRTR2OGA
SCHEMBL16543484 0.66 ALKBH1 (0.40) RXRAGRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL24920801 0.65 HCRTR1 (0.40) HCRTR1HCRTR2OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
EP-4208454-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
CN-115989227-A Imidazole-pyrazole derivatives having antibacterial properties 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
WO-2022049011-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2022-03-10 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-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 RXRA 2931/4885GRIN1 3451/4885GRIN2B 3788/4885

“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.