SCHEMBL2204372

SCHEMBL2204372

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 20/20 1.00
STK25 O00506 1/20 0.84
MAP2K7 O14733 1/20 0.84
CHEK1 O14757 1/20 0.84
GAK O14976 1/20 0.84
EPHB6 O15197 1/20 0.84
ABCC4 O15439 1/20 0.84
MAP3K13 O43283 1/20 0.84
NUAK1 O60285 1/20 0.84
STK17B O94768 1/20 0.84
STK10 O94804 1/20 0.84
PRKD3 O94806 1/20 0.84
ABCB11 O95342 1/20 0.84
MAP4K4 O95819 1/20 0.84
CHEK2 O96017 1/20 0.84
ABL1 P00519 1/20 0.84
INSR P06213 1/20 0.84
LCK P06239 1/20 0.84
FYN P06241 1/20 0.84

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
SCHEMBL2204366 1.00 EGFR (1.00) EGFRERBB2STK25MAP2K7CHEK1
Fumaric Acid SCHEMBL4963994 0.98 EGFR (0.96) EGFRERBB2STK25MAP2K7CHEK1
Maleic Acid SCHEMBL4963951 0.98 EGFR (0.96) EGFRERBB2STK25MAP2K7CHEK1
Hki-357 SCHEMBL29351355 0.93 EGFR (1.00) EGFRERBB2STK25MAP2K7CHEK1
Hki-357 SCHEMBL29478857 0.93 EGFR (1.00) EGFRERBB2STK25MAP2K7CHEK1
Hki-357 SCHEMBL2203420 0.93 EGFR (1.00) EGFRERBB2STK25MAP2K7CHEK1
Hki-357 SCHEMBL29351364 0.93 EGFR (1.00) EGFRERBB2STK25MAP2K7CHEK1
Hki-357 SCHEMBL2203413 0.93 EGFR (1.00) EGFRERBB2STK25MAP2K7CHEK1
SCHEMBL5496959 0.93 EGFR (0.86) EGFRERBB2
SCHEMBL18933488 0.93 EGFR (0.87) EGFRERBB2SRCKDR

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
US-7982043-B2 Protein tyrosine kinase enzyme inhibitors WYETH LLC (US) 2011-07-19 US disclosed
US-20080319011-A1 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2008-12-25 US disclosed
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 disclosed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP disclosed
EP-1448531-B1 3-CYANOQUINOLINES AS INHIBITORS OF EGF-R AND HER2 KINASES WYETH CORP (US) 2007-08-15 EP 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
US-6821988-B2 FOR USE AS ANTINEOPLASTIC AGENTS AND IN THERAPY OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION 2004-11-23 US disclosed
EP-1448531-A1 3-CYANOQUINOLINES AS INHIBITORS OF EGF-R AND HER2 KINASES Wyeth Holdings Corporation (US) 2004-08-25 EP disclosed
US-20030149056-A1 3-cyanoquinolines as inhibitors of EGF-R and HER2 kinases AMERICAN CYANAMID COMPANY 2003-08-07 US disclosed
WO-2003050090-A1 3-CYANOQUINOLINES AS INHIBITORS OF EGF-R AND HER2 KINASES WYETH HOLDINGS CORPORATION (US) 2003-06-19 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 (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 2/4885STK25 155/4885
US-20060079515-A1 Method for the treatment of polycystic kidney disease ERBB2, PKD2, EGFR EGFR 3/4885ERBB2 1/4885STK25 85/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET EGFR 6/4885ERBB2 2/4885STK25 155/4885
US-20030149056-A1 3-cyanoquinolines as inhibitors of EGF-R and HER2 kinases EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885STK25 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.