SCHEMBL3390138

SCHEMBL3390138

CN(C)CCNc1nc2cc3c(cc2[n+]([O-])n1)CCCC3

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
WHR1 P49842 1/20 0.34
DNM2 P50570 7/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
KDM1A O60341 5/20 0.33
RCOR1 Q9UKL0 5/20 0.33
EHMT2 Q96KQ7 4/20 0.33
SPIN4 Q56A73 1/20 0.32
SPIN3 Q5JUX0 1/20 0.32
SPIN2B Q9BPZ2 1/20 0.32
SPIN1 Q9Y657 1/20 0.32
NCF1 P14598 2/20 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
SCHEMBL3389487 0.99 HRH3 (0.37) CA12CA1CA2CA9HRH3
SCHEMBL3388870 0.98 PABPC1 (0.36) CA12CA1CA2CA9HRH3
SCHEMBL3386374 0.86 WHR1 (0.35) WHR1DNM2KDM1ARCOR1EHMT2
SCHEMBL3386467 0.86 CA1 (0.34) CA12CA1CA2CA9
SCHEMBL3383021 0.86 HTR1D (0.38) WHR1
SCHEMBL3385028 0.85 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL13763977 0.84 HRH3 (0.37) HRH3WHR1DNM2PABPC1EIF4H
SCHEMBL3385625 0.83 WHR1 (0.32) WHR1KDM1ARCOR1EHMT2
SCHEMBL3386411 0.83 WHR1 (0.32) WHR1KDM1ARCOR1EHMT2
SCHEMBL6673922 0.82 DNM2 (0.37) WHR1DNM2KDM1ARCOR1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP claimed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US claimed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 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-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 CA12 304/4885CA1 484/4885CA2 355/4885

“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.