SCHEMBL2249792

SCHEMBL2249792

[O-][n+]1nc(CCCN2CCOCC2)nc2cc3c(cc21)CCC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 4/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
RAD52 P43351 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2244429 0.91 TMEM97 (0.36) SIGMAR1LMNAHRH3MAPT
SCHEMBL2242882 0.90 TMEM97 (0.35) SIGMAR1LMNAHRH3MAPT
SCHEMBL2246225 0.86 LMNA (0.34) SIGMAR1POLBHTTALDH1A1LMNA
SCHEMBL2244403 0.86 SRC (0.34) SIGMAR1POLBALDH1A1LMNAKDM4E
SCHEMBL12355691 0.84 LMNA (0.33) SIGMAR1POLBHTTALDH1A1USP2
SCHEMBL2248784 0.84 SIGMAR1 (0.33) SIGMAR1POLBALDH1A1LMNAKDM4E
SCHEMBL2246095 0.82 KDM4E (0.42) POLBHPGDALOX15HTTALDH1A1
SCHEMBL2244540 0.81 BCHE (0.41) POLBHTTALDH1A1USP2CYP3A4
SCHEMBL2245242 0.81 SIGMAR1 (0.38) SIGMAR1POLBHPGDALOX15HTT
SCHEMBL2244520 0.80 CA12 (0.30)

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 10 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
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
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
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 WO 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 SIGMAR1 388/4885POLB 1092/4885HPGD 227/4885

“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.