SCHEMBL2589418

SCHEMBL2589418

CNC(=O)c1ccccc1Nc1nc(Nc2ccc([N+](=O)[O-])cc2OC)ncc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.67
ALK Q9UM73 8/20 0.67
PTK2 Q05397 7/20 0.67
INSR P06213 5/20 0.67
IGF1R P08069 4/20 0.67
MET P08581 3/20 0.67
MAPK8 P45983 2/20 0.67
MAPK9 P45984 2/20 0.67
MAPK10 P53779 2/20 0.67
CDC7 O00311 1/20 0.67
PLK4 O00444 1/20 0.67
CHEK1 O14757 1/20 0.67
AURKA O14965 1/20 0.67
DCLK1 O15075 1/20 0.67
PDPK1 O15530 1/20 0.67
DAPK3 O43293 1/20 0.67
DYRK3 O43781 1/20 0.67
JAK2 O60674 1/20 0.67
PRKD3 O94806 1/20 0.67
PAK4 O96013 1/20 0.67

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 1.00 ZAP70 (0.67) ZAP70ALKPTK2INSRIGF1R
SCHEMBL2594892 0.94 ULK1 (0.65) ZAP70ALKPTK2INSRIGF1R
SCHEMBL12179357 0.90 ALK (0.71) ZAP70ALKPTK2INSRIGF1R
SCHEMBL14982993 0.87 ULK1 (0.67) ALKPTK2INSRIGF1RMET
SCHEMBL2595609 0.86 ALK (0.71) ZAP70ALKPTK2INSRIGF1R
SCHEMBL30631285 0.86 ALK (0.71) ZAP70ALKPTK2INSRIGF1R
Hydrochloric Acid SCHEMBL2592568 0.85 ALK (0.70) ZAP70ALKPTK2INSRIGF1R
SCHEMBL18350631 0.84 ALK (0.85) ZAP70ALKPTK2INSRIGF1R
SCHEMBL2594860 0.84 ALK (0.68) ALKPTK2INSRIGF1RMET
SCHEMBL2588523 0.84 ULK1 (0.63) ALKPTK2INSRIGF1RMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969897-A Sulfonamide compound, preparation method and application thereof, and pharmaceutical composition 北京大学 2023-10-31 CN 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-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 ZAP70 1707/4885ALK 911/4885PTK2 29/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ZAP70 1707/4885ALK 911/4885PTK2 29/4885

“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.