SCHEMBL6483241

SCHEMBL6483241

C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.56
EGFR P00533 12/20 0.51
ITK Q08881 4/20 0.51
BTK Q06187 4/20 0.51
SRC P12931 1/20 0.51
BLK P51451 1/20 0.51
KCNH2 Q12809 1/20 0.49
ERBB4 Q15303 1/20 0.49

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
SCHEMBL6492412 0.89 ERBB2 (0.67) ERBB2EGFRITKBTKSRC
SCHEMBL6482672 0.83 ERBB2 (0.62) ERBB2EGFRITKBTKSRC
SCHEMBL6483467 0.82 ERBB2 (0.58) ERBB2EGFRITKBTKSRC
SCHEMBL6494532 0.79 ERBB2 (0.57) ERBB2EGFRKCNH2ERBB4
SCHEMBL6483473 0.77 ERBB2 (0.55) ERBB2EGFRITKBTKSRC
SCHEMBL6484938 0.76 ERBB2 (0.54) ERBB2EGFRITKBTKERBB4
SCHEMBL6490706 0.76 ERBB2 (0.66) ERBB2EGFRITKBTKSRC
SCHEMBL6482142 0.76 ERBB2 (0.59) ERBB2EGFRERBB4
SCHEMBL6495527 0.74 ERBB2 (0.52) ERBB2EGFRERBB4
SCHEMBL30423263 0.74 EGFR (0.67) EGFRITKBTKSRCBLK

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
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US claimed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP claimed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US claimed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO claimed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US disclosed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 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-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use PKD1, PKD2, GLS ERBB2 440/4885EGFR 228/4885ITK 755/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE ERBB2 2073/4885EGFR 1776/4885ITK 1311/4885

“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.