SCHEMBL4516259

SCHEMBL4516259

O=c1ccc2cccnc2[nH]1.OBO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.51
AXL P30530 1/20 0.44
NUDT1 P36639 1/20 0.44
RIPK1 Q13546 10/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
AURKA O14965 1/20 0.40
PARP1 P09874 1/20 0.40
FEN1 P39748 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
SCHEMBL29498319 0.93 DAO (0.53) DAOAXLNUDT1RIPK1CA12
SCHEMBL126973 0.93 DAO (0.53) DAOAXLNUDT1RIPK1CA12
Fluoride SCHEMBL28140380 0.91 DAO (0.51) DAOAXLNUDT1RIPK1CA12
Charcoal, Activated SCHEMBL7531966 0.91 DAO (0.51) DAOAXLNUDT1RIPK1CA12
SCHEMBL30213497 0.91 DAO (0.51) DAOAXLNUDT1RIPK1CA12
Hydrochloric Acid SCHEMBL29691659 0.91 DAO (0.51) DAOAXLNUDT1RIPK1CA12
Bromide SCHEMBL2820333 0.91 DAO (0.51) DAOAXLNUDT1RIPK1CA12
Hydrochloric Acid SCHEMBL7181738 0.91 DAO (0.51) DAOAXLNUDT1RIPK1CA12
Phosphoric Acid SCHEMBL31544068 0.88 DAO (0.50) DAOAXLNUDT1RIPK1CA12
Phosphoric Acid SCHEMBL29264269 0.88 DAO (0.50) DAOAXLNUDT1RIPK1CA12

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 7 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
EP-1981885-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) 2008-10-22 EP disclosed
EP-1951722-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) 2008-08-06 EP 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

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 DAO 439/4885AXL 4467/4885NUDT1 115/4885
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 DAO 444/4885AXL 4141/4885NUDT1 109/4885
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 DAO 395/4885AXL 4293/4885NUDT1 38/4885

“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.