SCHEMBL2594581

SCHEMBL2594581

C=CC(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.76
MET P08581 3/20 0.76
EGFR P00533 7/20 0.67
ULK1 O75385 3/20 0.66
MAPK3 P27361 1/20 0.62
PTK2 Q05397 4/20 0.60
BTK Q06187 1/20 0.59
MAPK8 P45983 1/20 0.59
MAPK9 P45984 1/20 0.59
MAPK10 P53779 1/20 0.59
INSR P06213 1/20 0.59
IGF1R P08069 1/20 0.59
PTK2B Q14289 1/20 0.59
PKMYT1 Q99640 1/20 0.59

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
SCHEMBL14982983 0.91 ULK1 (0.66) ALKMETEGFRULK1MAPK3
SCHEMBL16385544 0.91 EGFR (0.65) ALKMETEGFRMAPK3BTK
SCHEMBL14982967 0.88 MAPK3 (0.69) ALKMETEGFRULK1MAPK3
SCHEMBL14973064 0.88 ULK1 (0.62) ALKMETEGFRULK1MAPK3
SCHEMBL2593069 0.87 EGFR (0.78) ALKMETEGFRULK1MAPK3
SCHEMBL2588868 0.87 PTK2 (0.66) ALKMETEGFRULK1PTK2
SCHEMBL16371119 0.86 EGFR (0.78) ALKMETEGFRMAPK3BTK
SCHEMBL2594595 0.86 ALK (0.70) ALKMETEGFRULK1MAPK8
SCHEMBL12179588 0.86 ALK (0.70) ALKMETEGFRULK1MAPK8
SCHEMBL2592584 0.86 MAPK3 (0.71) ALKMETEGFRULK1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805940-B1 PYRAZINE CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-11-23 EP 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-9085540-B2 Pyrazinecarboxamide compound ASTELLAS PHARMA INC. (JP) 2015-07-21 US disclosed
EP-2805940-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 EP disclosed
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-30 US disclosed
WO-2013108754-A1 PYRAZINE CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2013-07-25 WO 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 (3 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
US-20140323463-A1 PYRAZINECARBOXAMIDE COMPOUND EGFR, ERBB2, ALK ALK 3/4885MET 54/4885EGFR 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.