SCHEMBL560968

SCHEMBL560968

Cc1c(-c2ccnn2C)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.63
NOTUM Q6P988 3/20 0.54
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTR2A P28223 2/20 0.41
GSR P00390 2/20 0.40
KLRK1 P26718 1/20 0.39
MICA Q29983 1/20 0.39
RAET1L Q5VY80 1/20 0.39
SCN9A Q15858 1/20 0.39
HTR2C P28335 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39

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
SCHEMBL17378375 0.92 ELANE (0.63) ELANENOTUMATMPOLBMEN1
SCHEMBL18880052 0.91 ELANE (0.62) ELANENOTUMATMPOLBMEN1
SCHEMBL18880123 0.89 ELANE (0.60) ELANENOTUMATMMEN1KMT2A
SCHEMBL18876707 0.86 NOTUM (0.49) ELANENOTUMPOLBMEN1KMT2A
SCHEMBL28777146 0.86 ELANE (0.67) ELANENOTUMPOLBMEN1KMT2A
SCHEMBL561598 0.85 ELANE (0.67) ELANENOTUMATMHTR2AHTR2C
SCHEMBL27749321 0.85 ELANE (0.66) ELANENOTUMPOLBMEN1KMT2A
SCHEMBL561287 0.83 ELANE (0.65) ELANENOTUMATMMEN1KMT2A
SCHEMBL985971 0.83 ELANE (0.83) ELANENOTUMPOLBMEN1KMT2A
SCHEMBL31490428 0.82 ELANE (0.67) ELANEHTR2AHTR2C

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501784-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2013-08-06 US claimed
EP-1663973-B3 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2019-09-25 EP disclosed
EP-3107911-B1 SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2018-10-31 EP disclosed
US-20170144998-A1 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2017-05-25 US disclosed
US-20170144998-A1 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2017-05-25 US disclosed
EP-3107911-A1 SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-28 EP disclosed
WO-2015200349-A2 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-30 WO disclosed
US-9221807-B2 Substituted pyridones and pyrazinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-29 US disclosed
US-9221807-B2 Substituted pyridones and pyrazinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-29 US disclosed
US-9221807-B2 Substituted pyridones and pyrazinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-29 US disclosed
US-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 US disclosed
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
CN-101142189-A 2-pyridine derivatives as inhibitors of neutrophile elastase ASTRAZENECA AB (SE) 2008-03-12 CN disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2007107706-A2 DIMERS OF HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF COPD ARGENTA DISCOVERY LIMITED (GB) 2007-09-27 WO disclosed
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use ASTRAZENECA AB (SE) 2007-08-30 US disclosed
CN-1882542-A 2-pyridone derivatives as inhibitors of neutrophil elastase and uses thereof ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 WO disclosed
EP-1663973-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026123-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 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-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use SERPINB1, ELANE, SERPINE1 ELANE 2/4885NOTUM 3343/4885ATM 2639/4885
US-20100216843-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 ELANE 2508/4885NOTUM 1275/4885ATM 2957/4885
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885NOTUM 2923/4885ATM 2954/4885
US-20170144998-A1 ELASTASE INHIBITORS SERPINB1, ELANE, CELA1 ELANE 2/4885NOTUM 551/4885ATM 2579/4885

“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.