SCHEMBL2248587

SCHEMBL2248587

CC1(C)c2cc([N+](=O)[O-])c(N)cc2CC1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 5/20 0.42
MPI P34949 1/20 0.42
MAPT P10636 10/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.38
SIRT6 Q8N6T7 1/20 0.38
GALR3 O60755 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL28292428 0.75 PNMT (0.50) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL2246174 0.72 MAPT (0.46) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL12355628 0.72 MAPT (0.42) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL14327002 0.69 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL22174153 0.69 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL596168 0.68 MAPT (0.62) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL19511923 0.68 MAPT (0.62) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL12279934 0.67 TDP1 (0.55) CYP1A2CYP2C9CYP2C19TSHRTDP1
SCHEMBL20898927 0.67 KDM1A (0.42) TSHRTDP1MAPTMEN1KMT2A
SCHEMBL11985162 0.67 MAPT (0.43) CYP1A2CYP2C9CYP2C19TSHRTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 WO 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 CYP1A2 42/4885CYP2C9 769/4885CYP2C19 344/4885

“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.