SCHEMBL2595597

SCHEMBL2595597

CNC(=O)c1ccccc1Nc1nc(Nc2cc([N+](=O)[O-])cc3c2CCCC3)ncc1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.61
ALK Q9UM73 11/20 0.58
MET P08581 10/20 0.58
INSR P06213 5/20 0.56
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
MAP4K1 Q92918 1/20 0.53
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
IGF1R P08069 1/20 0.51
PTK2 Q05397 1/20 0.51
PTK2B Q14289 1/20 0.51
PKMYT1 Q99640 1/20 0.51
SLC2A1 P11166 1/20 0.51

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
SCHEMBL2589001 0.98 ULK1 (0.61) ULK1ALKMETINSRCDK7
SCHEMBL2592555 0.86 ULK1 (0.65) ULK1ALKMETINSRCDK7
SCHEMBL2595171 0.85 ULK1 (0.65) ULK1ALKMETINSRCDK7
SCHEMBL14982993 0.85 ULK1 (0.67) ULK1ALKMETINSRCDK7
SCHEMBL2595773 0.82 ULK1 (0.61) ULK1ALKMETINSRCDK7
SCHEMBL2594892 0.81 ULK1 (0.65) ULK1ALKMETINSRCDK7
SCHEMBL12179673 0.81 ULK1 (0.61) ULK1ALKMETINSRCDK7
SCHEMBL14983059 0.80 ULK1 (0.63) ULK1ALKMETINSRMAPK8
SCHEMBL2594860 0.80 ALK (0.68) ULK1ALKMETINSRMAPK8
SCHEMBL2588523 0.80 ULK1 (0.63) ULK1ALKMETINSRCDK7

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