SCHEMBL3386374

SCHEMBL3386374

CC1Cc2cc3nc(NCCN(C)C)n[n+]([O-])c3cc2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.35
KDM1A O60341 4/20 0.34
RCOR1 Q9UKL0 4/20 0.34
EHMT2 Q96KQ7 3/20 0.34
DNM2 P50570 7/20 0.32
KCNH2 Q12809 1/20 0.31
PDE5A O76074 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
NCF1 P14598 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3388870 0.86 PABPC1 (0.36) WHR1KDM1ARCOR1EHMT2DNM2
SCHEMBL3390138 0.86 CA12 (0.35) WHR1KDM1ARCOR1EHMT2DNM2
SCHEMBL3389487 0.85 HRH3 (0.37) WHR1KDM1ARCOR1EHMT2DNM2
SCHEMBL6673922 0.80 DNM2 (0.37) WHR1KDM1ARCOR1EHMT2DNM2
SCHEMBL3386411 0.79 WHR1 (0.32) WHR1KDM1ARCOR1EHMT2
SCHEMBL3385625 0.79 WHR1 (0.32) WHR1KDM1ARCOR1EHMT2
SCHEMBL3384935 0.79 CA12 (0.42) HRH4
SCHEMBL3384858 0.78 RET (0.37) WHR1KDM1ARCOR1EHMT2DNM2
SCHEMBL3383021 0.77 HTR1D (0.38) WHR1
SCHEMBL2242700 0.77 KDM1A (0.41) KDM1ARCOR1EHMT2

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 WHR1 2504/4885KDM1A 802/4885RCOR1 610/4885

“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.