SCHEMBL13028025

SCHEMBL13028025

NC(=O)c1ncn2c(=O)n(CF)nnc12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
PABPC1 P11940 1/20 0.63
KMT2A Q03164 1/20 0.63
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13028034 0.89 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL13027731 0.88 MEN1 (0.71) MEN1PABPC1KMT2ACA12CA1
SCHEMBL13028032 0.87 MEN1 (0.65) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892107 0.87 MEN1 (0.65) MEN1PABPC1KMT2ACA12CA1
SCHEMBL13028029 0.86 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL13027962 0.86 MEN1 (0.68) MEN1PABPC1KMT2ACA12CA1
SCHEMBL2889998 0.86 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL2891891 0.86 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL13027994 0.86 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL13027905 0.86 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1

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-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
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 (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-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 MEN1 3049/4885PABPC1 3755/4885KMT2A 209/4885

“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.