SCHEMBL3284102

SCHEMBL3284102

CCCCCCCn1nc(Br)c(=O)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
TNF P01375 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
NR2F2 P24468 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 2/20 0.36
MAPT P10636 1/20 0.36
ADORA2B P29275 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36
SQOR Q9Y6N5 1/20 0.35

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
SCHEMBL3284182 0.85 TNF (0.44) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL3285813 0.84 ADORA2B (0.43) TNFTSHRLMNANR2F2MAPK1
SCHEMBL19608724 0.81 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL3290916 0.78 PDE4A (0.41) TNFMAPTADORA2B
SCHEMBL3288381 0.78 SCD (0.31)
SCHEMBL12650411 0.77 ADORA2B (0.38) LMNAMAPTADORA2B
SCHEMBL19608595 0.77 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHTNF
SCHEMBL3292781 0.76 PDE4A (0.47) TSHRMAPT
SCHEMBL3284453 0.76 TNF (0.38) TNFTSHRLMNANR2F2MAPK1
SCHEMBL3288166 0.76 TNF (0.38) TNFTSHRLMNANR2F2MAPK1

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 8 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-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
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
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
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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 PTGS1 3824/4885PTGS2 4484/4885MGLL 4767/4885

“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.