SCHEMBL2247045

SCHEMBL2247045

[O-][n+]1nc(NCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)CCC3

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
CSF1R P07333 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
SCHEMBL2246076 0.97 CA12 (0.49) CA12CA1CA2CA9USP2
SCHEMBL2245557 0.93 CA12 (0.50) CA12CA1CA2CA9USP2
SCHEMBL2243664 0.92 CA12 (0.49) CA12CA1CA2CA9USP2
SCHEMBL2245347 0.91 CA12 (0.50) CA12CA1CA2CA9HPGD
SCHEMBL2241523 0.90 CA12 (0.54) CA12CA1CA2CA9USP2
SCHEMBL2245433 0.90 CA12 (0.54) CA12CA1CA2CA9USP2
SCHEMBL2243354 0.84 CA12 (0.41) CA12CA1CA2CA9USP2
SCHEMBL2246216 0.82 CA12 (0.48) CA12CA1CA2CA9SIGMAR1
SCHEMBL2247230 0.81 CA12 (0.39) CA12CA1CA2CA9CYP3A4
SCHEMBL2243653 0.81 CA12 (0.39) CA12CA1CA2CA9CYP3A4

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 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.