SCHEMBL525061

SCHEMBL525061

CNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.74
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 2/20 0.39
CTSK P43235 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
SCHEMBL524078 0.92 ELANE (0.64) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL2695330 0.91 ELANE (0.65) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597440 0.91 ELANE (0.63) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL1603348 0.91 ELANE (0.65) ELANEMEN1KMT2ACYP2C9CYP3A4
Azd-6553 SCHEMBL3705053 0.90 ELANE (0.64) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL595586 0.90 ELANE (0.60) ELANEMEN1KMT2ACYP2C9
SCHEMBL597381 0.90 ELANE (0.62) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL596242 0.90 ELANE (0.62) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597391 0.90 ELANE (0.58) ELANEMEN1KMT2A
SCHEMBL597779 0.89 ELANE (0.59) ELANEMEN1KMT2ACYP2C9CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108610-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2012-05-03 US claimed
US-20090209555-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2009-08-20 US claimed
EP-2018377-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. Astra Zeneca AB (SE) 2009-01-28 EP claimed
WO-2007129963-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
US-8410114-B2 2-pyrazinone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2013-04-02 US disclosed
WO-2012085582-A1 COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
US-20120108610-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8114881-B2 2-pyrazinone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
EP-2379174-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
US-20090209555-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2009-08-20 US disclosed
EP-2018377-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. Astra Zeneca AB (SE) 2009-01-28 EP disclosed
WO-2007129963-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2007-11-15 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 (4 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 ELANE 1293/4885MEN1 4771/4885KMT2A 493/4885
US-20090209555-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL SERPINB1, ELANE, EPX ELANE 2/4885MEN1 3824/4885KMT2A 4493/4885
US-20120108610-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL SERPINB1, ELANE, EPX ELANE 2/4885MEN1 3824/4885KMT2A 4493/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 ELANE 1228/4885MEN1 4725/4885KMT2A 503/4885

“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.