SCHEMBL243296

SCHEMBL243296

COc1cncc(-c2cc(C3(C)CN(C)C(=O)C(N)=N3)c(F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.47
BACE2 Q9Y5Z0 7/20 0.47
CTSD P07339 3/20 0.41
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP1A2 P05177 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL14876862 1.00 BACE1 (0.47) BACE1BACE2CTSDFGFR1FGFR2
SCHEMBL14877109 1.00 BACE1 (0.47) BACE1BACE2CTSDFGFR1FGFR2
SCHEMBL14876663 0.86 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL14877088 0.86 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL251324 0.86 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL251918 0.80 BACE1 (0.48) BACE1BACE2CTSDAPP
SCHEMBL245956 0.76 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL12350610 0.75 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL7517924 0.74 BACE1 (0.37) BACE1BACE2CTSDFGFR1FGFR2
SCHEMBL251000 0.74 BACE1 (0.50) BACE1BACE2CTSD

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-2585440-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 WO disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 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-20130102618-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885CTSD 301/4885

“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.