SCHEMBL3386450

SCHEMBL3386450

CN(C)CCNc1nc2ccc3c(c2[n+]([O-])n1)CCCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.40
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RCE1 Q9Y256 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM1A O60341 1/20 0.31
EHMT2 Q96KQ7 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
SCHEMBL3385030 0.83 PABPC1 (0.41) PABPC1EIF4HHRH3TSHRMAPT
SCHEMBL3385653 0.83 HRH3 (0.40) PABPC1EIF4HHRH3TSHRMAPT
SCHEMBL3386958 0.79 HTR1D (0.40) HTR1DHTR2CHTR1AHTR2AHTR2B
SCHEMBL3383021 0.77 HTR1D (0.38) HTR1DHTR2C
SCHEMBL6674890 0.75 NCF1 (0.41) PABPC1EIF4HHRH3RAD52NCF1
SCHEMBL2245817 0.74 ACHE (0.36) HTR1DHTR2CHTR1AHTR2AHTR2B
SCHEMBL2246021 0.74 ACHE (0.36) HTR1DHTR2CHTR1AHTR2AHTR2B
SCHEMBL3384903 0.72 METAP2 (0.36) PABPC1EIF4HKDM4ERAD52ACHE
SCHEMBL3386411 0.72 WHR1 (0.32) HTR1DHTR2CKDM1AEHMT2RCOR1
SCHEMBL3385625 0.72 WHR1 (0.32) HTR1DHTR2CKDM1AEHMT2RCOR1

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 HTR1D 461/4885HTR2C 159/4885HTR1A 529/4885

“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.