SCHEMBL2246147

SCHEMBL2246147

COC1CCN(CCNc2nc3cc4c(cc3[n+]([O-])n2)CCC4)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
EHMT2 Q96KQ7 12/20 0.34
EHMT1 Q9H9B1 7/20 0.34
PGK1 P00558 2/20 0.34
KDM1A O60341 5/20 0.34
RCOR1 Q9UKL0 5/20 0.34
KMT5A Q9NQR1 1/20 0.32
OGA O60502 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GRM1 Q13255 1/20 0.32
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL2246222 0.94 TLR7 (0.42) TLR7EHMT2EHMT1PGK1KDM1A
SCHEMBL2244462 0.90 CA12 (0.33) TLR7EHMT2EHMT1PGK1
SCHEMBL2249570 0.90 TLR7 (0.34) TLR7EHMT2EHMT1PGK1KDM1A
SCHEMBL2246141 0.85 ACP1 (0.36) TLR7KMT5AACHETLR9
SCHEMBL2246009 0.85 ACP1 (0.36) TLR7KMT5AACHETLR9
SCHEMBL2243586 0.84 TLR7 (0.37) TLR7EHMT2EHMT1PGK1KDM1A
SCHEMBL2250349 0.83 USP2 (0.42) BCHEACHE
SCHEMBL2246216 0.82 CA12 (0.48) PGK1GRM1
SCHEMBL2243857 0.80 USP2 (0.40) BCHEACHE
SCHEMBL2245311 0.80 CA12 (0.34) EHMT2EHMT1

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 3161/4885EHMT2 940/4885EHMT1 973/4885

“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.