SCHEMBL2201919

SCHEMBL2201919

COCCN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(Sc4nccs4)c(Cl)c3)c(C#N)cnc2cc1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.86
ERBB2 P04626 18/20 0.86
SRC P12931 2/20 0.59
KDR P35968 2/20 0.59
MAP2K1 Q02750 2/20 0.56
STK25 O00506 1/20 0.56
CIT O14578 1/20 0.56
CHEK1 O14757 1/20 0.56
GAK O14976 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
STK17B O94768 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
FES P07332 1/20 0.56
CSF1R P07333 1/20 0.56
YES1 P07947 1/20 0.56

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
SCHEMBL2201916 1.00 EGFR (0.86) EGFRERBB2SRCKDRMAP2K1
SCHEMBL2203632 0.93 EGFR (1.00) EGFRERBB2SRCKDRMAP2K1
SCHEMBL2203626 0.93 EGFR (1.00) EGFRERBB2SRCKDRMAP2K1
SCHEMBL1893899 0.86 EGFR (0.84) EGFRERBB2SRCKDRMAP2K1
Hydrochloric Acid SCHEMBL1893647 0.85 EGFR (0.83) EGFRERBB2SRCKDRMAP2K1
SCHEMBL2206638 0.81 EGFR (0.90) EGFRERBB2SRCKDR
SCHEMBL2206643 0.81 EGFR (0.90) EGFRERBB2SRCKDR
SCHEMBL2206177 0.81 EGFR (1.00) EGFRERBB2SRCKDR
SCHEMBL2206172 0.81 EGFR (1.00) EGFRERBB2SRCKDR
SCHEMBL2204746 0.80 EGFR (1.00) EGFRERBB2SRCKDRMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2008-12-25 US claimed
US-7399865-B2 such as (E)-N-{4-[4-(benzyloxy)-3-chloroanilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide used as antineoplastic agents, or inhibitors of the HER-2 gene or proteins and epidermal growth factor receptor enzymes WYETH (US) 2008-07-15 US claimed
EP-1796727-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE Wyeth a Corporation of the State of Delaware (US) 2007-06-20 EP claimed
EP-1670473-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2006-06-21 EP claimed
WO-2006042100-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH (US) 2006-04-20 WO claimed
US-20060079515-A1 Method for the treatment of polycystic kidney disease WYETH (US) 2006-04-13 US claimed
WO-2005034955-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2005-04-21 WO claimed
WO-2005028443-A2 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH A CORPORATION OF THE STATE OF DELAWARE, USA (US) 2005-03-31 WO claimed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 US claimed
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US claimed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
US-7982043-B2 Protein tyrosine kinase enzyme inhibitors WYETH LLC (US) 2011-07-19 US disclosed
WO-2010030835-A2 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH LLC (US) 2010-03-18 WO disclosed
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR WYETH (US) 2010-03-18 US disclosed
US-20060079515-A1 Method for the treatment of polycystic kidney disease WYETH (US) 2006-04-13 US disclosed
WO-2005034955-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2005-04-21 WO disclosed
WO-2005028443-A2 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH A CORPORATION OF THE STATE OF DELAWARE, USA (US) 2005-03-31 WO disclosed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 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 (4 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-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS ABL1, ERBB2, RET EGFR 6/4885ERBB2 2/4885SRC 13/4885
US-20060079515-A1 Method for the treatment of polycystic kidney disease ERBB2, PKD2, EGFR EGFR 3/4885ERBB2 1/4885SRC 5/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET EGFR 6/4885ERBB2 2/4885SRC 13/4885
US-20100069340-A1 PHARMACEUTICAL COMPOSITIONS OF AN SRC KINASE INHIBITOR AND AN AROMATASE INHIBITOR CYP19A1, SRC, CYP17A1 EGFR 90/4885ERBB2 8/4885SRC 2/4885

“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.