SCHEMBL596242

SCHEMBL596242

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.62
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP2C9 P11712 4/20 0.37
CYP3A4 P08684 2/20 0.37
CTSK P43235 1/20 0.36

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
SCHEMBL525061 0.90 ELANE (0.74) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL524078 0.89 ELANE (0.64) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597440 0.88 ELANE (0.63) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL595623 0.87 ELANE (0.60) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL2695330 0.87 ELANE (0.65) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL1603348 0.86 ELANE (0.65) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL14922192 0.86 ELANE (0.61) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597096 0.86 ELANE (0.61) ELANEMEN1KMT2ACYP2C9CYP3A4
Azd-6553 SCHEMBL3705053 0.86 ELANE (0.64) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL597381 0.86 ELANE (0.62) 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 6 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
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

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 2/4885MEN1 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

“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.