SCHEMBL4947596

SCHEMBL4947596

CCOC(=O)/C(=C/Nc1cccc(Br)c1)C(=O)c1cccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.50
MAPT P10636 8/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 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
SCHEMBL1566802 1.00 DHODH (0.50) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL8246811 1.00 DHODH (0.50) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL8246814 0.90 GAA (0.54) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7157266 0.85 KMT2A (0.52) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7157263 0.85 KMT2A (0.52) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7157291 0.85 MAPT (0.57) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7157293 0.85 MAPT (0.57) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7158653 0.84 MAPT (0.53) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7158657 0.84 MAPT (0.53) DHODHMAPTMAPK1CYP1A2CYP3A4
SCHEMBL7153389 0.82 DHODH (0.51) DHODHMAPTMAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119509-A1 Altenrative Forms Of The Phosphodeisterase -4 Inhibitor N-Cyclopropyl-1- -3{3-[(1-Oxidopyryidin-3-Yl) Phenyl]-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxyamide MERCK CANADA INC. (CA) 2008-05-22 US disclosed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-7238706-B2 4-oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders MERCK & CO., INC. 2006-11-16 US disclosed
US-6909002-B2 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. (US) 2005-06-21 US disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
US-6743802-B2 ASTHMA THERAPY; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-06-01 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 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 (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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A DHODH 141/4885MAPT 4803/4885MAPK1 2599/4885
US-20080119509-A1 Altenrative Forms Of The Phosphodeisterase -4 Inhibitor N-Cyclopropyl-1- -3{3-[(1-Oxidopyryidin-3-Yl) Phenyl]-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxyamide TPI1, ENPP1, SMPD4 DHODH 154/4885MAPT 2770/4885MAPK1 3098/4885
US-20060258668-A1 Use of phosphatase inhibitors as adjunct therapy for psychiatric disorders PPP3CA, PTPA, PPP3CB DHODH 987/4885MAPT 2114/4885MAPK1 1940/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 DHODH 73/4885MAPT 2478/4885MAPK1 504/4885

“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.