SCHEMBL3387942

SCHEMBL3387942

CCN(CC)CCNc1n[n+]([O-])c2c3c(ccc2[n+]1[O-])CCC3

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
METAP2 P50579 8/20 0.36
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3387982 0.89 CA12 (0.40) CA12CA1CA2CA9METAP2
SCHEMBL3387111 0.87 CA12 (0.40) CA12CA1CA2CA9METAP2
SCHEMBL3389446 0.81 CA12 (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL3384903 0.78 METAP2 (0.36) CA1CA2CA9METAP2KMT2A
SCHEMBL2248525 0.78 CA12 (0.39) CA12CA1CA2CA9METAP2
SCHEMBL3386958 0.72 HTR1D (0.40) CA12CA1CA2CA9
SCHEMBL3383053 0.71 METAP2 (0.32) METAP2KMT2AKDM4EHTT
SCHEMBL3384857 0.69 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL3385657 0.69 CA12 (0.56) CA12CA1CA2CA9
SCHEMBL5455391 0.68 CYP1A2 (0.37) CA12CA1CA2CA9HTT

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 3 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
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 CA12 304/4885CA1 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.