SCHEMBL3286582

SCHEMBL3286582

O=c1c(Br)nn(CCCC2CCCCC2)c(=O)n1CCCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 2/20 0.30
ADORA2B P29275 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL3285199 0.91 CTSK (0.41) CTSKMAPTADORA2AADORA2BAGTR1
SCHEMBL3286922 0.87
SCHEMBL3286678 0.81 CTSK (0.35) CTSKADORA2AADORA2B
SCHEMBL3284453 0.79 TNF (0.38) CTSKMAPTLMNAMAPK1HTT
SCHEMBL3844466 0.75
SCHEMBL3288381 0.74 SCD (0.31)
SCHEMBL3291203 0.72 DPP4 (0.33) LMNANPSR1
SCHEMBL3285814 0.71 CTSK (0.60) CTSKNPSR1ADORA2AADORA2B
SCHEMBL3290916 0.69 PDE4A (0.41) MAPTADORA2AADORA2B
SCHEMBL3285813 0.66 ADORA2B (0.43) LMNAMAPK1HTTNPSR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 CTSK 4406/4885MAPT 4269/4885LMNA 3726/4885

“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.