SCHEMBL2594754

SCHEMBL2594754

CNC(=O)c1ccccc1Nc1nc(Nc2cc([N+](=O)[O-])ccc2OC)nc2c1c(Cl)cn2COCC[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.45
ALK Q9UM73 5/20 0.42
MET P08581 3/20 0.42
INSR P06213 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PRKCG P05129 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL12179349 0.89 PTK2 (0.47) PTK2ALKMETINSRCDC7
SCHEMBL2595092 0.85 EGFR (0.50) PTK2ALKMETINSRCDC7
SCHEMBL14973408 0.81 ULK1 (0.43) PTK2ALKMETINSRCDC7
SCHEMBL2594892 0.77 ULK1 (0.65) PTK2ALKMETINSRCDC7
SCHEMBL2589418 0.72 ZAP70 (0.67) PTK2ALKMETINSRCDC7
SCHEMBL30631286 0.72 ZAP70 (0.67) PTK2ALKMETINSRCDC7
SCHEMBL2589013 0.72 PTK2 (0.44) PTK2ALKMETINSRCDC7
SCHEMBL18018936 0.69 LRRK2 (0.65) JAK2LRRK2MKNK2
SCHEMBL30718280 0.69 MAPT (0.39) JAK2EGFRIGF1RFGFR1CAMKK2
SCHEMBL24565283 0.67 YTHDC1 (0.35) CDK2

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 PTK2 29/4885ALK 911/4885MET 8/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 PTK2 29/4885ALK 911/4885MET 8/4885

“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.