SCHEMBL2889611

SCHEMBL2889611

O=C=NCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
EPHX2 P34913 1/20 0.50
CASP3 P42574 4/20 0.45
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL18495314 0.87 KMT2A (0.59) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL2905177 0.84 KMT2A (0.65) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29223688 0.82 KMT2A (0.59) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL21332462 0.81 KMT2A (0.66) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29352060 0.80 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL29443815 0.80 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL178798 0.80 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL30125177 0.80 KMT2A (0.67) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL25996132 0.80 KMT2A (0.54) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL30697177 0.80 KMT2A (0.63) KMT2AEPHX2CASP3FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698370-A2 3-substituted-4-oxo-3,4-dihydro-imidazo-[5,1-d][1,2,3,5]-tetrazine-8-carboxylic acid amides as anticancer agents Pharminox Limited (GB) 2014-02-19 EP disclosed
US-20130338104-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2013-12-19 US disclosed
US-8450479-B2 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use PHARMINOX LIMITED (GB) 2013-05-28 US disclosed
US-8450479-B2 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use PHARMINOX LIMITED (GB) 2013-05-28 US disclosed
US-8450479-B2 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use PHARMINOX LIMITED (GB) 2013-05-28 US disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 US disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 US disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 US disclosed
EP-2229393-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5]-TETRAZINE-8-CARBOXYLIC ACID AMIDES AS ANTICANCER AGENTS PHARMONIX LIMITED (GB) 2010-09-22 EP disclosed
WO-2009077741-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE PHARMINOX LIMITED (GB) 2009-06-25 WO disclosed
WO-2009077741-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE PHARMINOX LIMITED (GB) 2009-06-25 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 (2 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-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use MKI67, CCNI, CDK4 KMT2A 209/4885EPHX2 3215/4885CASP3 59/4885
US-20130338104-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use MKI67, CCNI, CDK4 KMT2A 249/4885EPHX2 3217/4885CASP3 61/4885

“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.