SCHEMBL2243586

SCHEMBL2243586

COC1CN(CCCNc2nc3cc4c(cc3[n+]([O-])n2)CCC4)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.37
TLR9 Q9NR96 2/20 0.35
PGK1 P00558 3/20 0.34
EHMT2 Q96KQ7 11/20 0.34
KDM1A O60341 5/20 0.34
RCOR1 Q9UKL0 5/20 0.34
EHMT1 Q9H9B1 6/20 0.33
SCARB1 Q8WTV0 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KMT5A Q9NQR1 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
SCHEMBL2244462 0.94 CA12 (0.33) TLR7PGK1EHMT2EHMT1CA12
SCHEMBL2246222 0.90 TLR7 (0.42) TLR7TLR9PGK1EHMT2KDM1A
SCHEMBL2249570 0.86 TLR7 (0.34) TLR7TLR9PGK1EHMT2KDM1A
SCHEMBL2246147 0.84 TLR7 (0.35) TLR7TLR9PGK1EHMT2KDM1A
SCHEMBL2244520 0.83 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL2245419 0.82 CA12 (0.50) PGK1CA12CA1CA2CA9
SCHEMBL2246095 0.81 KDM4E (0.42) EHMT2KDM1ARCOR1
SCHEMBL2246125 0.79 EHMT2 (0.32) TLR7EHMT2KDM1ARCOR1EHMT1
SCHEMBL2244447 0.79 HRH3 (0.42) EHMT2KDM1ARCOR1
SCHEMBL2244540 0.78 BCHE (0.41) EHMT2KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 TLR7 3161/4885TLR9 4192/4885PGK1 895/4885

“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.