SCHEMBL3384858

SCHEMBL3384858

CN(C)CCNc1nc2cc3c(cc2[n+]([O-])n1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.37
HTR2C P28335 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
WHR1 P49842 1/20 0.36
HSP90AB1 P08238 1/20 0.35
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDR P35968 1/20 0.32
KDM1A O60341 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
DNM2 P50570 6/20 0.32
EHMT2 Q96KQ7 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 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
SCHEMBL3385625 0.84 WHR1 (0.32) HTR2CWHR1KDM1ARCOR1EHMT2
SCHEMBL3386411 0.84 WHR1 (0.32) HTR2CWHR1KDM1ARCOR1EHMT2
SCHEMBL3383021 0.82 HTR1D (0.38) HTR2CWHR1HTR1D
SCHEMBL6673922 0.81 DNM2 (0.37) WHR1KDM1ARCOR1DNM2EHMT2
SCHEMBL3390138 0.80 CA12 (0.35) WHR1KDM1ARCOR1DNM2EHMT2
SCHEMBL3388870 0.80 PABPC1 (0.36) WHR1KDM1ARCOR1DNM2EHMT2
SCHEMBL3389487 0.79 HRH3 (0.37) WHR1KDM1ARCOR1DNM2EHMT2
SCHEMBL3388857 0.78 CA12 (0.38) RETHTR2CKDM4EALDH1A1GLA
SCHEMBL3386374 0.78 WHR1 (0.35) WHR1KDM1ARCOR1DNM2EHMT2
SCHEMBL2774178 0.78 KCNH2 (0.40) KDM1ARCOR1DNM2EHMT2

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
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
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 RET 1348/4885HTR2C 159/4885KDM4E 1281/4885

“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.