SCHEMBL3384903

SCHEMBL3384903

CCN(CC)CCNc1nc2ccc3c(c2[n+]([O-])n1)CCC3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
KCNH2 Q12809 1/20 0.33
BCHE P06276 2/20 0.33
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.32
PRMT5 O14744 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
LMNA P02545 1/20 0.31
RAD52 P43351 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL3383053 0.93 METAP2 (0.32) METAP2KDM4EHTTKMT2APABPC1
SCHEMBL3385030 0.89 PABPC1 (0.41) METAP2KDM4EACHEPABPC1EIF4H
SCHEMBL3385653 0.87 HRH3 (0.40) METAP2KDM4EACHEPABPC1EIF4H
SCHEMBL6677311 0.82 FGFR1 (0.40) CA1CA2CA9KDM4EHTT
SCHEMBL3386467 0.79 CA1 (0.34) CA1CA2CA9KDM4EHTT
SCHEMBL2249523 0.78 ACHE (0.42) METAP2KDM4EBCHEACHEALDH1A1
SCHEMBL3387942 0.78 CA12 (0.39) METAP2CA1CA2CA9KDM4E
SCHEMBL6679142 0.74 SLC2A1 (0.36) CA1CA2CA9KDM4EKCNH2
SCHEMBL6676763 0.73 CA1 (0.37) CA1CA2CA9KDM4EHTT
SCHEMBL3386450 0.72 HTR1D (0.40) KDM4EACHEPABPC1EIF4HRAD52

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 4 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
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 METAP2 4120/4885CA1 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.