SCHEMBL596606

SCHEMBL596606

CCOC(C#Cc1nc(C(=O)N(C)C)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
GSR P00390 3/20 0.40
NOTUM Q6P988 1/20 0.38
MAPT P10636 2/20 0.37
APP P05067 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
MTOR P42345 1/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.36
POLB P06746 1/20 0.36
CTSK P43235 2/20 0.35

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
SCHEMBL597180 0.89 MEN1 (0.42) CYP1A2GSRNOTUMMAPTAPP
SCHEMBL598118 0.77 CYP1A2 (0.47) CYP1A2GSRNOTUMMAPTALDH1A1
SCHEMBL986660 0.76 CYP2C9 (0.44) CYP1A2GSRNOTUMMAPTAPP
SCHEMBL15766372 0.73 CTSK (0.46) CYP1A2GSRNOTUMMAPTALDH1A1
SCHEMBL15766614 0.73 CTSK (0.41) CYP1A2GSRNOTUMALDH1A1CYP2C9
SCHEMBL8039947 0.71 MEN1 (0.46) CYP1A2GSRNOTUMMAPTAPP
SCHEMBL4021797 0.71 NOTUM (0.49) CYP1A2GSRNOTUMMAPTAPP
SCHEMBL597092 0.71 NOTUM (0.48) CYP1A2GSRNOTUMMAPTALDH1A1
SCHEMBL595622 0.67 ELANE (0.62) CYP2C9CTSK
SCHEMBL4022781 0.67 NOTUM (0.63) CYP1A2GSRNOTUMMAPTALDH1A1

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-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 CYP1A2 279/4885GSR 1374/4885NOTUM 3125/4885
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 CYP1A2 279/4885GSR 1374/4885NOTUM 3125/4885

“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.