SCHEMBL717406

SCHEMBL717406

O=C(NC1CC1)c1cn(-c2cccc(C#Cc3cccnc3)c2)c2ncccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 1.00
PDE4A P27815 14/20 0.76
PDE4B Q07343 14/20 0.76
PDE4C Q08493 14/20 0.76
PDE4D Q08499 14/20 0.76
CYP2C9 P11712 1/20 0.76

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
SCHEMBL12995884 0.89 KCNH2 (0.81) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL2331333 0.88 KCNH2 (0.79) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL1566354 0.87 KCNH2 (0.77) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL5340317 0.86 KCNH2 (1.00) KCNH2PDE4APDE4BPDE4CPDE4D
Mk-0873 SCHEMBL29496418 0.86 PDE4A (1.00) KCNH2PDE4APDE4BPDE4CPDE4D
Mk-0873 SCHEMBL4950462 0.86 PDE4A (1.00) KCNH2PDE4APDE4BPDE4CPDE4D
Mk-0873 SCHEMBL29372259 0.86 PDE4A (1.00) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL1566248 0.86 KCNH2 (0.76) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL14336538 0.86 KCNH2 (0.75) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL12198465 0.86 PDE4A (0.84) 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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436290-B1 ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR MERCK FROSST CANADA LTD (CA) 2013-09-18 EP claimed
EP-2305677-A1 Alkyne-aryl-naphthyridin-4(1h)-one derivatives as type IV phosphodiesterase inhibitor Merck Frosst Canada Limited (CA) 2011-04-06 EP claimed
EP-1562588-A4 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-10-31 EP claimed
US-20060069115-A1 Use of pde4 inhibitors as adjunct therapy for psychiatric disorders SCOLNICK EDWARD M 2006-03-30 US claimed
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
EP-1562588-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2005-08-17 EP claimed
US-20050070569-A1 Alkyne-aryl phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-03-31 US claimed
EP-1436290-A1 ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR Merck Frosst Canada & Co. (CA) 2004-07-14 EP claimed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO claimed
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 WO claimed
US-6743802-B2 ASTHMA THERAPY; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-06-01 US claimed
US-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2003-06-19 US claimed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 WO claimed
US-10994082-B2 Inhaler counter ASTRAZENECA AB (SE) 2021-05-04 US disclosed
US-20180339119-A1 INHALER BANG & OLUFSEN MEDICOM A/S (DK) 2018-11-29 US disclosed
EP-2755707-B1 INHALER ASTRAZENECA AB (SE) 2018-11-14 EP disclosed
US-6743802-B2 ASTHMA THERAPY; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-06-01 US disclosed
US-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2003-06-19 US disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 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 (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-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors PDE4A, PDE3B, PDE4B KCNH2 756/4885PDE4A 1/4885PDE4B 3/4885
US-20060040981-A1 Use of phosphodiesterase-4 inhibitors as enhancers of cognition PDE4A, PDE4B, PDE4C KCNH2 2057/4885PDE4A 1/4885PDE4B 2/4885
US-20050070569-A1 Alkyne-aryl phosphodiesterase-4 inhibitors PDE4A, PDE3B, PDE4B KCNH2 858/4885PDE4A 1/4885PDE4B 3/4885

“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.