SCHEMBL4085475

SCHEMBL4085475

Cc1c(O)cccc1C(=O)NCc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.62
PTGER4 P35408 1/20 0.56
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL4087178 0.91 MAPK8 (0.69) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL7317640 0.90 MAPK8 (0.75) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL4455558 0.90 MAPK8 (0.62) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL7371983 0.88 MAPK8 (0.69) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL7168843 0.88 MAPK8 (0.72) MAPK8PTGER4KMT2A
SCHEMBL4085918 0.88 MAPK8 (0.60) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL7371446 0.87 LMNA (0.72) MAPK8HPGDLMNASMN1; SMN2KMT2A
SCHEMBL4085497 0.87 PTGER4 (0.60) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL4086021 0.87 MAPK8 (0.59) MAPK8PTGER4HPGDLMNASMN1; SMN2
SCHEMBL4081701 0.87 MAPK8 (0.64) MAPK8PTGER4HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US claimed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US claimed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-6756392-B2 CARBOCYCLIC SECONDARY AMIDES SUCH AS 2-(4-FLUORO-PHENOXY) -N-(4-((2-HYDROXY-3-METHYL-BENZOYL AMINO)-METHYL)-BENZYL)-NICOTINAMIDE, ADMINISTERED FOR PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS PFIZER INC 2004-06-29 US claimed
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors MAGEE THOMAS V (US) 2003-10-16 US claimed
US-20030191158-A1 Antiinflamamtory agents; antiallergens PFIZER INC. 2003-10-09 US claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
EP-1651222-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-03 EP disclosed
EP-1651208-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO disclosed
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US disclosed
WO-2005013967-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
WO-2005013993-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND AN ANTICHOLINERGIC FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
US-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
US-6756392-B2 CARBOCYCLIC SECONDARY AMIDES SUCH AS 2-(4-FLUORO-PHENOXY) -N-(4-((2-HYDROXY-3-METHYL-BENZOYL AMINO)-METHYL)-BENZYL)-NICOTINAMIDE, ADMINISTERED FOR PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS PFIZER INC 2004-06-29 US disclosed
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors MAGEE THOMAS V (US) 2003-10-16 US disclosed
US-20030191158-A1 Antiinflamamtory agents; antiallergens PFIZER INC. 2003-10-09 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 (6 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-20050026886-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE12, PDE3A, PDE3B MAPK8 4158/4885PTGER4 198/4885HPGD 464/4885
US-20030195233-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C MAPK8 1524/4885PTGER4 49/4885HPGD 32/4885
US-20030191158-A1 Antiinflamamtory agents; antiallergens NNMT, IL5, HNMT MAPK8 4288/4885PTGER4 290/4885HPGD 64/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK8 88/4885PTGER4 76/4885HPGD 888/4885
US-20050043343-A1 Medicaments for inhalation comprising an anticholinergic and a PDE IV inhibitor PDE3A, PDE4B, PDE12 MAPK8 3666/4885PTGER4 230/4885HPGD 663/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH MAPK8 2628/4885PTGER4 1543/4885HPGD 98/4885

“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.