SCHEMBL2594860

SCHEMBL2594860

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.68
MET P08581 7/20 0.68
ULK1 O75385 3/20 0.66
PTK2 Q05397 6/20 0.60
INSR P06213 3/20 0.59
MAPK8 P45983 1/20 0.59
MAPK9 P45984 1/20 0.59
MAPK10 P53779 1/20 0.59
IGF1R P08069 1/20 0.59
PTK2B Q14289 1/20 0.59
PKMYT1 Q99640 1/20 0.59
SLC2A1 P11166 1/20 0.58

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
SCHEMBL14983059 0.89 ULK1 (0.63) ALKMETULK1PTK2INSR
SCHEMBL14982993 0.86 ULK1 (0.67) ALKMETULK1PTK2INSR
SCHEMBL2592811 0.86 ULK1 (0.59) ALKMETULK1PTK2INSR
SCHEMBL22144557 0.85 ULK1 (0.81) ALKMETULK1PTK2INSR
SCHEMBL2594892 0.85 ULK1 (0.65) ALKMETULK1PTK2INSR
SCHEMBL2586374 0.85 ALK (0.75) ALKMETULK1PTK2INSR
SCHEMBL30631286 0.84 ZAP70 (0.67) ALKMETULK1PTK2INSR
SCHEMBL2589418 0.84 ZAP70 (0.67) ALKMETULK1PTK2INSR
SCHEMBL2588523 0.83 ULK1 (0.63) ALKMETULK1PTK2INSR
SCHEMBL17547512 0.83 ALK (0.70) ALKMETULK1PTK2INSR

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 8/4885ULK1 591/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ALK 911/4885MET 8/4885ULK1 591/4885

“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.