SCHEMBL5342889

SCHEMBL5342889

O=C(NC1CC1)c1cn(-c2cccc(-c3cncc(Br)c3)c2)c2ncccc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.82
PDE4A P27815 15/20 0.67
PDE4B Q07343 14/20 0.67
PDE4C Q08493 14/20 0.67
PDE4D Q08499 14/20 0.67
CYP2C9 P11712 1/20 0.63

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
SCHEMBL5340317 0.90 KCNH2 (1.00) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5336548 0.88 KCNH2 (1.00) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5338168 0.87 KCNH2 (0.77) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL1566800 0.86 KCNH2 (0.75) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5943324 0.86 KCNH2 (0.72) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5340894 0.84 KCNH2 (0.82) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5340351 0.84 KCNH2 (0.79) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5943314 0.84 KCNH2 (0.93) KCNH2PDE4APDE4BPDE4CPDE4D
Bicarbonate SCHEMBL4717057 0.84 KCNH2 (0.74) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5343986 0.84 KCNH2 (0.79) KCNH2PDE4APDE4BPDE4CPDE4D

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition MERCK FROSST CANADA LTD. (CA) 2006-02-23 US claimed
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP claimed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO claimed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-7312334-B2 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO. INC. (US) 2007-12-25 US disclosed
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition MERCK FROSST CANADA LTD. (CA) 2006-02-23 US disclosed
US-20060019981-A1 Method of preparing inhibitors phosphodiesterase-4 MERCK & CO., INC. 2006-01-26 US disclosed
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP disclosed
EP-1397359-B1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-08-31 EP disclosed
EP-1565466-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 Merck & Co., Inc. (US) 2005-08-24 EP disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
EP-1397359-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-03-17 EP disclosed
US-6677351-B2 USEFUL IN TREATMENT OF ASTHMA AND INFLAMMATION MERCK FROSST CANADA & CO. (CA) 2004-01-13 US disclosed
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2003-05-22 US disclosed
WO-2002094823-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO 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 KCNH2 722/4885PDE4A 2/4885PDE4B 1/4885
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE7A KCNH2 2415/4885PDE4A 1/4885PDE4B 2/4885
US-20060019981-A1 Method of preparing inhibitors phosphodiesterase-4 PDE4A, PDE5A, PDE3A KCNH2 887/4885PDE4A 1/4885PDE4B 4/4885
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition PDE4A, PDE4B, PDE4C KCNH2 2057/4885PDE4A 1/4885PDE4B 2/4885

“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.