SCHEMBL2200815

SCHEMBL2200815

COc1cc2ncc(C#N)c(Nc3ccc(NCc4cccnc4)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.66
ERBB2 P04626 10/20 0.66
MAP3K8 P41279 2/20 0.55
MAPK13 O15264 1/20 0.55
EIF2AK2 P19525 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
SRC P12931 5/20 0.53
STK4 Q13043 2/20 0.49
MAP2K1 Q02750 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48

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
SCHEMBL6999196 0.88 EGFR (0.59) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL4450592 0.83 EGFR (0.53) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL1894166 0.80 EGFR (0.78) EGFRERBB2SRC
SCHEMBL4449025 0.78 EGFR (0.63) EGFRERBB2SRCSTK4MAP2K1
SCHEMBL4963209 0.76 MAP3K8 (0.75) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL1893935 0.75 EGFR (0.77) EGFRERBB2
SCHEMBL2204296 0.75 MAP2K1 (0.64) EGFRERBB2SRCMAP2K1
SCHEMBL2204809 0.74 IGF1R (0.81) EGFRERBB2MAP2K1
SCHEMBL4963677 0.74 MAP3K8 (0.83) EGFRERBB2MAP3K8MAPK13EIF2AK2
SCHEMBL6379609 0.74 EGFR (0.78) EGFRERBB2EIF2AK2SRCSTK4

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 12 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
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-1670473-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2006-06-21 EP 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 (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 2/4885MAP3K8 50/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET EGFR 6/4885ERBB2 2/4885MAP3K8 50/4885
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 EGFR 20/4885ERBB2 8/4885MAP3K8 217/4885

“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.