Sugi Predict

Sugi Predict / Compounds / SCHEMBL598118

SCHEMBL598118

SCHEMBL598118

Cc1c(Br)nc(C(=O)N(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ GSR P00390 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PLA2G10 O15496 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ELANE P08246 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
SCHEMBL2433035 0.85 CYP1A2 (0.50) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL596430 0.85 ELANE (0.48) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL597092 0.80 NOTUM (0.48) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL27830049 0.78 NOTUM (0.49) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL27830047 0.78 CYP1A2 (0.50) CYP1A2NOTUMPOLBGSRKMT2A
SCHEMBL596606 0.77 CYP1A2 (0.40) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL4022781 0.76 NOTUM (0.63) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL595622 0.74 ELANE (0.62) KMT2AMEN1ELANE
SCHEMBL596837 0.73 CYP1A2 (0.52) CYP1A2NOTUMPOLBGSRALDH1A1
SCHEMBL595361 0.72 ELANE (0.65) ELANE

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 4 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

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 279/4885NOTUM 3125/4885POLB 1069/4885
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 3125/4885POLB 1069/4885

“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.