SCHEMBL2592584

SCHEMBL2592584

C=CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 7/20 0.71
EGFR P00533 7/20 0.69
ALK Q9UM73 4/20 0.69
ERBB2 P04626 2/20 0.67
ERBB4 Q15303 2/20 0.67
ERBB3 P21860 1/20 0.67
PTK2 Q05397 3/20 0.65
INSR P06213 2/20 0.65
IGF1R P08069 2/20 0.65
CDC7 O00311 1/20 0.65
PLK4 O00444 1/20 0.65
CHEK1 O14757 1/20 0.65
AURKA O14965 1/20 0.65
DCLK1 O15075 1/20 0.65
PDPK1 O15530 1/20 0.65
DAPK3 O43293 1/20 0.65
DYRK3 O43781 1/20 0.65
JAK2 O60674 1/20 0.65
PRKD3 O94806 1/20 0.65
PAK4 O96013 1/20 0.65

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
SCHEMBL2593069 0.94 EGFR (0.78) MAPK3EGFRALKERBB2ERBB4
SCHEMBL18431806 0.88 PTK2 (0.65) MAPK3EGFRALKERBB2ERBB4
SCHEMBL14982967 0.87 MAPK3 (0.69) MAPK3EGFRALKPTK2INSR
SCHEMBL29096017 0.87 PTK2 (0.69) MAPK3EGFRALKERBB2ERBB4
SCHEMBL13728340 0.87 MAPK3 (0.71) MAPK3EGFRALKERBB2ERBB4
SCHEMBL2594581 0.86 ALK (0.76) MAPK3EGFRALKPTK2INSR
SCHEMBL15938621 0.85 MAPK3 (0.83) MAPK3EGFRALKERBB2ERBB4
SCHEMBL15948424 0.85 MAPK3 (0.83) MAPK3EGFRALKERBB2ERBB4
SCHEMBL1817282 0.85 EGFR (0.68) MAPK3EGFRALKERBB2ERBB4
SCHEMBL1532357 0.85 EGFR (0.68) MAPK3EGFRALKERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 MAPK3 149/4885EGFR 1/4885ALK 911/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 MAPK3 149/4885EGFR 1/4885ALK 911/4885

“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.