SCHEMBL3288166

SCHEMBL3288166

CCCCCCCn1nc(Br)c(=O)n(CCCC(F)(F)F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.38
ADORA2B P29275 1/20 0.38
CNR2 P34972 3/20 0.33
LMNA P02545 3/20 0.33
CNR1 P21554 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR2F2 P24468 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL3284453 1.00 TNF (0.38) TNFADORA2BCNR2LMNACNR1
SCHEMBL3286678 0.95 CTSK (0.35) TNFADORA2BCTSK
SCHEMBL3286922 0.91
SCHEMBL3284182 0.89 TNF (0.44) TNFADORA2BLMNATSHRHTT
SCHEMBL3285813 0.88 ADORA2B (0.43) TNFADORA2BLMNATSHRHTT
SCHEMBL3290916 0.83 PDE4A (0.41) TNFADORA2BMAPT
SCHEMBL3844466 0.81
SCHEMBL3844316 0.80 LMNA (0.33) LMNATSHRSMN1; SMN2NPSR1MAPK1
SCHEMBL3288381 0.79 SCD (0.31)
SCHEMBL3286582 0.79 CTSK (0.37) ADORA2BLMNAHTTNPSR1MAPK1

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 3 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
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP 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 TNF 3901/4885ADORA2B 1684/4885CNR2 261/4885

“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.