Sugi Predict

Sugi Predict / Compounds / SCHEMBL8344739

SCHEMBL8344739

SCHEMBL8344739

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(CC(N)=O)C1c1ccc(C#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 1.00
▸ CYP2C9 P11712 3/20 0.71
▸ CYP3A4 P08684 1/20 0.64

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
SCHEMBL1764184 1.00 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL13412207 0.94 ELANE (0.89) ELANECYP2C9CYP3A4
SCHEMBL13540724 0.93 ELANE (0.87) ELANECYP2C9CYP3A4
SCHEMBL1764173 0.93 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL8345071 0.93 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL8344908 0.93 ELANE (0.87) ELANECYP2C9CYP3A4
SCHEMBL1764731 0.91 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL1134161 0.91 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL13412224 0.91 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL3482560 0.91 ELANE (0.85) ELANECYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
WO-2004024700-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER HEALTHCARE AG (DE) 2004-03-25 — — WO disclosed