SCHEMBL2204020

SCHEMBL2204020

CCOc1cc2ncc(C#N)c(Nc3ccc(Cn4ccnc4)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.65
ERBB2 P04626 8/20 0.65
MAP2K1 Q02750 1/20 0.52
STK4 Q13043 5/20 0.49
STK3 Q13188 3/20 0.48
SRC P12931 3/20 0.47

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
SCHEMBL6996969 0.87 EGFR (0.57) EGFRERBB2MAP2K1STK4STK3
SCHEMBL2200479 0.87 EGFR (0.67) EGFRERBB2MAP2K1STK4STK3
SCHEMBL6379609 0.83 EGFR (0.78) EGFRERBB2MAP2K1STK4STK3
Hydrochloric Acid SCHEMBL6385742 0.82 EGFR (0.77) EGFRERBB2MAP2K1STK4STK3
SCHEMBL2200289 0.82 EGFR (0.64) EGFRERBB2MAP2K1STK4STK3
SCHEMBL6999369 0.81 EGFR (0.58) EGFRERBB2MAP2K1STK4STK3
SCHEMBL2203827 0.79 EGFR (1.00) EGFRERBB2MAP2K1STK4STK3
SCHEMBL2203831 0.79 EGFR (1.00) EGFRERBB2MAP2K1STK4STK3
SCHEMBL4449025 0.79 EGFR (0.63) EGFRERBB2MAP2K1STK4SRC
SCHEMBL28622133 0.79 STK3 (0.77) EGFRERBB2MAP2K1STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO 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
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 (3 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 2/4885MAP2K1 602/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET EGFR 6/4885ERBB2 2/4885MAP2K1 602/4885
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 EGFR 20/4885ERBB2 8/4885MAP2K1 840/4885

“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.