SCHEMBL597381

SCHEMBL597381

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)nc(C(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.62
PDE4B Q07343 2/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 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
SCHEMBL3707723 0.91 ELANE (0.49) ELANEPDE4BPDE4D
SCHEMBL597097 0.91 ELANE (0.52) ELANEPDE4BPDE4D
SCHEMBL525061 0.90 ELANE (0.74) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL596968 0.90 ELANE (0.51) ELANEPDE4BPDE4DMEN1KMT2A
SCHEMBL524078 0.88 ELANE (0.64) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL2695330 0.88 ELANE (0.65) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597440 0.87 ELANE (0.63) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL1603348 0.87 ELANE (0.65) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL14922192 0.87 ELANE (0.61) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597096 0.87 ELANE (0.61) ELANEMEN1KMT2ACYP2C9CYP3A4

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
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 claimed
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-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
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-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 (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-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 2/4885PDE4B 413/4885PDE4D 680/4885
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 2/4885PDE4B 413/4885PDE4D 680/4885

“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.