SCHEMBL8237012

SCHEMBL8237012

CCOC(=O)C1CC1c1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
KDM1B Q8NB78 1/20 0.49
TDP2 O95551 1/20 0.43
USP2 O75604 1/20 0.42
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MAP3K5 Q99683 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL8237011 1.00 KDM1A (0.49) KDM1AKDM1BTDP2USP2CA1
SCHEMBL17792959 1.00 KDM1A (0.49) KDM1AKDM1BTDP2USP2CA1
SCHEMBL15541134 0.86 ALDH1A1 (0.48) CA1CA2CA9CA12POLB
SCHEMBL15668912 0.85 CA12 (0.41) CA1CA2CA9CA12POLB
SCHEMBL7896902 0.85 MAPT (0.43) KDM1AKDM1BTDP2USP2MEN1
SCHEMBL4714304 0.85 KDM1A (0.53) KDM1AKDM1BTSHRSMN1; SMN2ALDH1A1
SCHEMBL4717194 0.85 KDM1A (0.53) KDM1AKDM1BTSHRSMN1; SMN2ALDH1A1
SCHEMBL24844846 0.85 CA1 (0.47) CA1CA2CA9CA12POLB
SCHEMBL14231496 0.84 CA12 (0.41) CA1CA2CA9CA12MEN1
SCHEMBL1099884 0.84 CA12 (0.41) CA1CA2CA9CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same MERCK & CO., INC. (US) 2009-04-23 US disclosed
CN-100475813-C 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2009-04-08 CN disclosed
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2008-03-20 US disclosed
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2008-03-20 US disclosed
WO-2007048225-A1 A 4-OXO-1- (3-SUBSTITUTED PHENYL) -1, 4-DIHYDRO-1, 8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4-INHIBITOR AND A METHOD OF PREPARING SAME MERCK FROSST CANADA LTD. (CA) 2007-05-03 WO disclosed
WO-2007050576-A2 A METHOD OF PREPARING A 4-OXO-1- (3 SUBSTITUTED PHENYL) -1, 4-DIHYDRO-1, 8-NAPHTHYRIDINE-3- CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITOR MERCK & CO., INC. (US) 2007-05-03 WO disclosed
US-20070099951-A1 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2007-05-03 US disclosed
US-20070099951-A1 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same DUBE DANIEL 2007-05-03 US disclosed
CN-1738819-A 4-oxo-1- (3-substituted phenyl) -1, 4-dihydro-1, 8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2006-02-22 CN 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 (3 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-20070099951-A1 4-oxo-1-(3-substituted phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same PDE4A, PDE12, PDE4B KDM1A 713/4885KDM1B 1337/4885TDP2 258/4885
US-20080070940-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitor and a method of preparing same PDE4A, PDE12, PDE4B KDM1A 613/4885KDM1B 1290/4885TDP2 291/4885
US-20090105479-A1 4-Oxo-1-3-Substituted Phenyl-1,4-Dihydro-1,8-Napthyridene-3-Carboxamide Phosphodiesterase-4 Inhibitor and a Method of Preparing Same PDE12, PDE4A, PDE4B KDM1A 694/4885KDM1B 1532/4885TDP2 157/4885

“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.