SCHEMBL232029

SCHEMBL232029

CC1(C)CN(CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCC2CCCO2)CC(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.59
EPHA2 P29317 4/20 0.59
EPHB4 P54760 3/20 0.59
EGFR P00533 16/20 0.58
ERBB2 P04626 2/20 0.54
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
ABCC4 O15439 1/20 0.54
DAPK3 O43293 1/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
RPS6KA4 O75676 1/20 0.54
STK17B O94768 1/20 0.54
STK10 O94804 1/20 0.54
PRKD3 O94806 1/20 0.54
ABCB11 O95342 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 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
SCHEMBL29623444 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623758 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL186044 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL185763 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623447 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL185292 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL210419 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL1920704 0.97 KDR (0.64) KDREPHA2EPHB4EGFRERBB2
SCHEMBL1920705 0.97 KDR (0.64) KDREPHA2EPHB4EGFRERBB2
SCHEMBL7226582 0.97 EGFR (0.59) KDREPHA2EPHB4EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 US claimed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
US-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 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
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-20050059661-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-17 US claimed
US-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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 (10 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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH KDR 604/4885EPHA2 179/4885EPHB4 182/4885
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 KDR 3597/4885EPHA2 1630/4885EPHB4 3096/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 KDR 688/4885EPHA2 62/4885EPHB4 218/4885
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES EGFR, ERBB4, GRK5 KDR 838/4885EPHA2 604/4885EPHB4 473/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 KDR 436/4885EPHA2 179/4885EPHB4 195/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B KDR 4444/4885EPHA2 1772/4885EPHB4 2716/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 KDR 514/4885EPHA2 439/4885EPHB4 756/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 KDR 500/4885EPHA2 1142/4885EPHB4 1814/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KDR 514/4885EPHA2 439/4885EPHB4 756/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 KDR 436/4885EPHA2 179/4885EPHB4 195/4885

“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.