SCHEMBL2594450

SCHEMBL2594450

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.63
MET P08581 11/20 0.63
INSR P06213 2/20 0.63
CDC7 O00311 1/20 0.63
PLK4 O00444 1/20 0.63
CHEK1 O14757 1/20 0.63
AURKA O14965 1/20 0.63
DCLK1 O15075 1/20 0.63
MAPK13 O15264 1/20 0.63
PDPK1 O15530 1/20 0.63
DYRK3 O43781 1/20 0.63
JAK2 O60674 1/20 0.63
ROCK2 O75116 1/20 0.63
RPS6KA5 O75582 1/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
PAK4 O96013 1/20 0.63
CHEK2 O96017 1/20 0.63
ABL1 P00519 1/20 0.63
EGFR P00533 1/20 0.63

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
SCHEMBL2593482 0.88 ZAP70 (0.73) ALKMETZAP70
SCHEMBL2592094 0.85 ALK (0.67) ALKMETINSRCDC7PLK4
SCHEMBL2594860 0.81 ALK (0.68) ALKMETINSRIGF1RMAPK8
SCHEMBL2595611 0.80 EGFR (0.65) ALKMETINSRCDC7PLK4
SCHEMBL12570609 0.80 ALK (0.67) ALKMETINSRCDC7PLK4
SCHEMBL19601638 0.79 ALK (0.65) ALKMETINSRCDC7PLK4
SCHEMBL30833738 0.78 ALK (0.63) ALKMETINSRCDC7PLK4
SCHEMBL25304543 0.78 PTK2 (0.66) ALKMETINSRCDC7PLK4
SCHEMBL25299781 0.77 PTK2 (0.65) ALKMETINSRCDC7PLK4
SCHEMBL884995 0.76 ALK (0.62) ALKMETINSRCDC7PLK4

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 7 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

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 ALK 911/4885MET 8/4885INSR 428/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ALK 911/4885MET 8/4885INSR 428/4885

“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.