SCHEMBL597447

SCHEMBL597447

Cc1cnc(Br)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
NOTUM Q6P988 2/20 0.48
BRD9 Q9H8M2 1/20 0.45
GSR P00390 2/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.42
MTOR P42345 1/20 0.41
GAA P10253 1/20 0.41
AR P10275 1/20 0.41
CTSK P43235 1/20 0.41
NPY5R Q15761 1/20 0.41
RECQL P46063 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL596693 0.81 POLB (0.59) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL597092 0.78 NOTUM (0.48) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL27830345 0.78 CYP1A2 (0.49) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL594708 0.78 KMT2A (0.50) CYP1A2NOTUMPOLBELANEGAA
SCHEMBL27830347 0.78 AGBL2 (0.51) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL597107 0.78 NOTUM (0.48) CYP1A2NOTUMPOLBELANENPY5R
SCHEMBL4286769 0.74 CYP1A2 (0.52) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL17819335 0.74 CYP1A2 (0.49) CYP1A2NOTUMBRD9GSRGAA
SCHEMBL6315486 0.73 NOTUM (0.59) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL596533 0.73 CYP1A2 (0.54) CYP1A2NOTUMBRD9GSRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466284-B2 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRA ZENECA AB (SE) 2013-06-18 US disclosed
US-8466284-B2 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRA ZENECA AB (SE) 2013-06-18 US disclosed
US-8466284-B2 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRA ZENECA AB (SE) 2013-06-18 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
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
WO-2011110852-A1 POLYMORPHIC FORMS OF 6- [2- (4 -CYANOPHENYL) - 2H - PYRAZOL - 3 - YL] - 5 -METHYL - 3 - OXO - 4 - (TRIFLUOROMETHYL - PHENYL) 3,4-DIHYDROPYRAZINE-2-CARBOXYLIC ACID ETHYLAMIDE ASTRAZENECA AB (SE) 2011-09-15 WO disclosed
US-20110224229-A1 Novel Crystalline Form ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224229-A1 Novel Crystalline Form ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224229-A1 Novel Crystalline Form ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20100280048-A1 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRAZENECA R&D (SE) 2010-11-04 US disclosed
US-20100280048-A1 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRAZENECA R&D (SE) 2010-11-04 US disclosed
US-20100280048-A1 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ASTRAZENECA R&D (SE) 2010-11-04 US disclosed
EP-2217591-A1 SOME 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2010-08-18 EP 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
WO-2009061271-A1 SOME 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-05-14 WO disclosed
WO-2009061271-A1 SOME 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-05-14 WO disclosed
WO-2009058076-A1 2-PYRAZINONE DERIVATIVES AND THEIR USE AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-05-07 WO 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-20110224229-A1 Novel Crystalline Form UACA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC1 CYP1A2 230/4885NOTUM 2722/4885BRD9 4229/4885
US-20100280048-A1 Some 2-pyrazinone derivatives and their use as inhibitors of neutrophile elastase ELANE, SERPINB1, MPO CYP1A2 615/4885NOTUM 1764/4885BRD9 1652/4885
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 CYP1A2 279/4885NOTUM 3125/4885BRD9 4302/4885
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 279/4885NOTUM 3125/4885BRD9 4302/4885

“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.