SCHEMBL2594595

SCHEMBL2594595

CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C=CCN(C)C)c2)ncc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.70
MET P08581 3/20 0.70
EGFR P00533 8/20 0.63
ITK Q08881 2/20 0.63
JAK3 P52333 1/20 0.63
CDK7 P50613 5/20 0.58
CCNH P51946 5/20 0.58
ULK1 O75385 2/20 0.58
CDK1 P06493 2/20 0.57
CDK2 P24941 2/20 0.57
CDK9 P50750 2/20 0.57
MNAT1 P51948 2/20 0.57
CDK5 Q00535 2/20 0.57
CDK8 P49336 1/20 0.57
CCNT1 O60563 1/20 0.56
CCNK O75909 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56

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
SCHEMBL12179588 1.00 ALK (0.70) ALKMETEGFRITKJAK3
SCHEMBL17766076 0.90 EGFR (0.62) ALKMETEGFRITKJAK3
SCHEMBL17766075 0.90 EGFR (0.62) ALKMETEGFRITKJAK3
SCHEMBL12179627 0.88 EGFR (0.65) ALKMETEGFRITKCDK7
SCHEMBL2594581 0.86 ALK (0.76) ALKMETEGFRULK1MAPK8
SCHEMBL17792825 0.84 EGFR (0.70) EGFRITKJAK3CDK7CCNH
SCHEMBL14973233 0.81 ALK (0.81) ALKMETEGFRULK1MAPK8
SCHEMBL14983024 0.81 ALK (0.81) ALKMETEGFRULK1MAPK8
SCHEMBL16385544 0.80 EGFR (0.65) ALKMETEGFR
SCHEMBL22144557 0.79 ULK1 (0.81) ALKMETEGFRCDK7ULK1

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 3 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-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 8/4885EGFR 1/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ALK 911/4885MET 8/4885EGFR 1/4885

“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.