SCHEMBL4958136

SCHEMBL4958136

COc1cc2c(Nc3ccc(Oc4ccccc4OC)cc3)c(C#N)cnc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.74
RAF1 P04049 5/20 0.74
EGFR P00533 6/20 0.64
ERBB2 P04626 6/20 0.64
SRC P12931 3/20 0.64

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
SCHEMBL2970665 0.89 MAP2K1 (0.73) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116902 0.88 MAP2K1 (0.71) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116905 0.88 MAP2K1 (0.68) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14595247 0.87 MAP2K1 (0.69) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116952 0.87 MAP2K1 (0.75) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14595250 0.86 MAP2K1 (0.61) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL6382750 0.85 MAP2K1 (1.00) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL4954951 0.85 MAP2K1 (0.76) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL4954921 0.85 MAP2K1 (0.73) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL14116955 0.84 MAP2K1 (0.72) MAP2K1RAF1EGFRERBB2SRC

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
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
US-7067532-B2 Substituted quinolines as antitumor agents ASTRAZENECA (SE) 2006-06-27 US disclosed
US-20040029898-A1 Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2004-02-12 US disclosed
EP-1337524-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002044166-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-06-06 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 (2 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-20070021407-A1 Substituted quinolines as antitumor agents NR1H3, NR1H2, NR0B1 MAP2K1 4027/4885RAF1 1565/4885EGFR 260/4885
US-20040029898-A1 Substituted quinolines as antitumor agents NQO2, NQO1, TP53 MAP2K1 4209/4885RAF1 743/4885EGFR 2095/4885

“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.