SCHEMBL3289571

SCHEMBL3289571

CCOC(=O)C(C)(C)Oc1ccc(OCCCNc2nn(CCCC(F)(F)F)c(=O)n(C)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.39
TSHR P16473 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
FBP1 P09467 2/20 0.36
PPARD Q03181 3/20 0.34
PPARG P37231 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
MGAT2 Q10469 2/20 0.33
CNR1 P21554 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3287514 0.91 PPARA (0.38) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3283966 0.90 PPARA (0.41) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3292828 0.90 PPARA (0.40) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3848287 0.90 PPARA (0.41) PPARAPPARDPPARGLMNAHTT
SCHEMBL3286019 0.89 PPARA (0.38) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3284169 0.88 PPARA (0.40) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3284582 0.87 PPARA (0.39) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3841422 0.85 PKM (0.34) PPARATSHRCYP3A4PPARDPPARG
SCHEMBL3291697 0.85 PPARA (0.50) PPARAFBP1PPARDPPARG
SCHEMBL3289743 0.84 PPARA (0.51) PPARAFBP1PPARDPPARG

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 9 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 claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US claimed
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
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 PPARA 3384/4885TSHR 133/4885ABCB11 528/4885

“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.