SCHEMBL4450592

SCHEMBL4450592

COc1cc2ncc(C#N)c(Nc3ccc(N(Cc4cccnc4)C(C)=O)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.53
ERBB2 P04626 14/20 0.53
STK4 Q13043 2/20 0.49
SRC P12931 2/20 0.49
MAP2K1 Q02750 1/20 0.45
MAPK13 O15264 1/20 0.45
EIF2AK2 P19525 1/20 0.45
MAP3K8 P41279 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL6996533 0.89 MAP3K8 (0.47) EGFRERBB2STK4SRCMAPK13
SCHEMBL4451215 0.89 EGFR (0.55) EGFRERBB2STK4SRCMAP2K1
SCHEMBL4445586 0.88 STK4 (0.63) EGFRERBB2STK4SRC
SCHEMBL7001084 0.84 MAP3K8 (0.48) EGFRERBB2STK4SRCMAPK13
SCHEMBL2200815 0.83 EGFR (0.66) EGFRERBB2STK4SRCMAP2K1
SCHEMBL6992365 0.83 STK4 (0.49) EGFRERBB2STK4SRCMAPK13
SCHEMBL4451042 0.82 EGFR (0.78) EGFRERBB2STK4SRCMAP2K1
SCHEMBL4451048 0.82 EGFR (0.78) EGFRERBB2STK4SRCMAP2K1
SCHEMBL4448963 0.82 MAP2K1 (0.70) EGFRERBB2SRCMAP2K1
SCHEMBL1894166 0.77 EGFR (0.78) EGFRERBB2SRC

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 EGFR 20/4885ERBB2 8/4885STK4 383/4885

“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.