SCHEMBL4088441

SCHEMBL4088441

NC(=O)c1ccc2nc(N3CCN(Cc4ccc5ccccc5c4)CC3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 15/20 0.56
NPY5R Q15761 1/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
CHEK1 O14757 1/20 0.46
CDK7 P50613 1/20 0.46

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
SCHEMBL4088439 0.92 HDAC3 (0.48) CHEK2NPY5RHDAC3HDAC4HDAC1
SCHEMBL5732767 0.90 CHEK2 (0.59) CHEK2NPY5R
SCHEMBL27622440 0.88 CHEK2 (0.58) CHEK2NPY5RHDAC3HDAC1HDAC2
SCHEMBL4082111 0.87 CHEK2 (0.58) CHEK2NPY5R
SCHEMBL4091953 0.87 CHEK2 (0.57) CHEK2NPY5R
SCHEMBL4092456 0.86 CHEK2 (0.58) CHEK2NPY5RHDAC3HDAC1HDAC2
SCHEMBL4085622 0.85 CHEK2 (0.62) CHEK2
SCHEMBL4093396 0.85 CHEK2 (0.56) CHEK2NPY5RMGLL
SCHEMBL4081581 0.85 ITGB3 (0.52) CHEK2NPY5RHDAC3HDAC1HDAC2
SCHEMBL4092963 0.84 CHEK2 (0.53) CHEK2NPY5RHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 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
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 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-1707205-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-10-04 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-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
CN-1658834-A Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA (DE) 2005-08-24 CN disclosed
CN-1658873-A New pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2005-08-24 CN disclosed
US-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 US disclosed
EP-1534282-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-06-01 EP disclosed
EP-1496900-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-19 EP disclosed
EP-1494645-A2 METHOD OF TREATING MUCUS HYPERSECRETION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 EP disclosed
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 US disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 US disclosed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US disclosed
WO-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO disclosed
WO-2003084503-A2 P38 KINASE INHIBITORS FOR TREATING MUCUS HYPERSECRETION_ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 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 (7 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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 CHEK2 149/4885NPY5R 1472/4885HDAC3 1420/4885
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 CHEK2 130/4885NPY5R 1836/4885HDAC3 1506/4885
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 CHEK2 149/4885NPY5R 1472/4885HDAC3 1420/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 CHEK2 566/4885NPY5R 620/4885HDAC3 3882/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 CHEK2 1350/4885NPY5R 1264/4885HDAC3 1834/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 CHEK2 566/4885NPY5R 620/4885HDAC3 3882/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 CHEK2 1350/4885NPY5R 1264/4885HDAC3 1834/4885

“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.