SCHEMBL233047

SCHEMBL233047

C[C@@H]1CN(C/C=C/C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCC2CC2)CC(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.70
▸ ERBB2 P04626 18/20 0.70
▸ ERBB4 Q15303 6/20 0.66
▸ GAK O14976 1/20 0.65
▸ RIPK2 O43353 1/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ LCK P06239 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ SRC P12931 1/20 0.65
▸ DRD2 P14416 1/20 0.65
▸ ADRA2C P18825 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65
▸ MC3R P41968 1/20 0.65
▸ JAK3 P52333 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ RIPK3 Q9Y572 1/20 0.65

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
SCHEMBL3473465 1.00 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL233048 1.00 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL29623463 1.00 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3473469 1.00 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL1417815 1.00 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL185816 1.00 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7089055 0.96 EGFR (0.66) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7264326 0.96 EGFR (0.66) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7270452 0.96 EGFR (0.66) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL7270423 0.94 EGFR (0.65) EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG. (DE) 2010-12-09 — — US claimed
US-20090306072-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-12-10 — — US claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 — — EP claimed
EP-1478398-B1 NEW MEDICINAL COMPOSITIONS ON THE BASIS OF ANTICHOLINERGIC AGENTS AND EGFR KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 — — EP claimed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 — — US claimed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 — — EP claimed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — US claimed
US-20060178364-A1 Use of EGFR tyrosinkinase inhibitors for treatment of chronic rhinosinusitis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-10 — — US claimed
EP-1521595-B1 NOVEL DRUG COMPOSITIONS BASED ON NOVEL ANTICHOLINERGICS AND INHIBITORS OF EGFR-KINASE BOEHRINGER INGELHEIM PHARMA (DE) 2006-03-15 — — EP claimed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 — — WO claimed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 — — US claimed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 — — US claimed
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 — — US claimed
US-20050165013-A1 Pharmaceutical compositions containing anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 — — US claimed
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-07 — — US claimed
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 — — US claimed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 — — US claimed
US-20030158196-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-08-21 — — US claimed
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 — — US claimed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20090306072-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885
US-20050165013-A1 Pharmaceutical compositions containing anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, CHRM2 EGFR 2/4885ERBB2 4/4885ERBB4 15/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 EGFR 4088/4885ERBB2 2531/4885ERBB4 3532/4885
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients CHRM3, ADRA2C, PDE3A EGFR 52/4885ERBB2 96/4885ERBB4 37/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ERBB4 4/4885
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 EGFR 417/4885ERBB2 545/4885ERBB4 2019/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 EGFR 53/4885ERBB2 29/4885ERBB4 44/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C EGFR 43/4885ERBB2 75/4885ERBB4 22/4885
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B EGFR 3691/4885ERBB2 2317/4885ERBB4 2976/4885
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, ERBB2 EGFR 2/4885ERBB2 3/4885ERBB4 9/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 EGFR 53/4885ERBB2 29/4885ERBB4 44/4885

“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.

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