SCHEMBL3385653

SCHEMBL3385653

CN(C)CCNc1nc2ccc3c(c2[n+]([O-])n1)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
METAP2 P50579 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RCE1 Q9Y256 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ACHE P22303 5/20 0.34
PRKCI P41743 1/20 0.33
POLB P06746 1/20 0.33

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 0.98 PABPC1 (0.41) HRH3PABPC1EIF4HMETAP2TSHR
SCHEMBL3384903 0.87 METAP2 (0.36) PABPC1EIF4HMETAP2KDM4EACHE
SCHEMBL3383053 0.86 METAP2 (0.32) PABPC1EIF4HMETAP2KDM4E
SCHEMBL3386450 0.83 HTR1D (0.40) HRH3PABPC1EIF4HTSHRCYP1A2
SCHEMBL6674890 0.78 NCF1 (0.41) HRH3PABPC1EIF4HPOLB
SCHEMBL2249523 0.78 ACHE (0.42) HRH3METAP2KDM4EHRH2HRH1
SCHEMBL3390138 0.78 CA12 (0.35) HRH3PABPC1EIF4H
SCHEMBL3387111 0.77 CA12 (0.40) HRH3PABPC1EIF4HMETAP2TSHR
SCHEMBL3389487 0.77 HRH3 (0.37) HRH3PABPC1EIF4HHRH2HRH1
SCHEMBL3388870 0.75 PABPC1 (0.36) HRH3PABPC1EIF4H

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 HRH3 690/4885PABPC1 2907/4885EIF4H 2351/4885

“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.