SCHEMBL2594892

SCHEMBL2594892

CNC(=O)c1ccccc1Nc1nc(Nc2cc([N+](=O)[O-])ccc2OC)ncc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.65
MAP4K1 Q92918 1/20 0.62
ALK Q9UM73 9/20 0.61
MET P08581 4/20 0.61
PTK2 Q05397 6/20 0.61
INSR P06213 4/20 0.61
IGF1R P08069 3/20 0.61
LRRK2 Q5S007 2/20 0.61
CDC7 O00311 1/20 0.61
PLK4 O00444 1/20 0.61
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
DCLK1 O15075 1/20 0.61
PDPK1 O15530 1/20 0.61
DAPK3 O43293 1/20 0.61
DYRK3 O43781 1/20 0.61
JAK2 O60674 1/20 0.61
PRKD3 O94806 1/20 0.61
PAK4 O96013 1/20 0.61
CHEK2 O96017 1/20 0.61

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
SCHEMBL30631286 0.94 ZAP70 (0.67) ULK1MAP4K1ALKMETPTK2
SCHEMBL2589418 0.94 ZAP70 (0.67) ULK1MAP4K1ALKMETPTK2
SCHEMBL14982993 0.89 ULK1 (0.67) ULK1ALKMETPTK2INSR
SCHEMBL2588523 0.86 ULK1 (0.63) ULK1ALKMETPTK2INSR
SCHEMBL2594676 0.85 ULK1 (0.70) ULK1MAP4K1ALKMETPTK2
SCHEMBL13832205 0.85 ALK (0.67) MAP4K1ALKINSRIGF1RZAP70
SCHEMBL2594860 0.85 ALK (0.68) ULK1ALKMETPTK2INSR
SCHEMBL12179357 0.84 ALK (0.71) ALKMETPTK2INSRIGF1R
SCHEMBL2591721 0.84 MAP4K1 (0.49) ULK1MAP4K1ALKMETPTK2
SCHEMBL14983059 0.81 ULK1 (0.63) ULK1ALKMETPTK2INSR

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 5 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-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

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 ULK1 591/4885MAP4K1 105/4885ALK 911/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ULK1 591/4885MAP4K1 105/4885ALK 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.