SCHEMBL6496345

SCHEMBL6496345

C=CC(=O)Nc1cccc(Nc2ncnc(NCc3ccc4c(ccn4Cc4ccccc4)c3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.58
EGFR P00533 6/20 0.54
JAK3 P52333 9/20 0.52
BTK Q06187 6/20 0.49
ITK Q08881 2/20 0.49
SRC P12931 1/20 0.49
BLK P51451 1/20 0.49
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
TTK P33981 3/20 0.47
TYK2 P29597 1/20 0.46

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
SCHEMBL6490706 0.92 ERBB2 (0.66) ERBB2EGFRJAK3BTKITK
SCHEMBL6483467 0.86 ERBB2 (0.58) ERBB2EGFRJAK3BTKITK
SCHEMBL6496347 0.83 ERBB2 (0.55) ERBB2EGFRJAK3BTKITK
SCHEMBL6482765 0.81 JAK3 (0.57) EGFRJAK3BTKITKSRC
SCHEMBL6497399 0.79 BTK (0.58) ERBB2EGFRJAK3BTKITK
SCHEMBL6492634 0.79 EGFR (0.54) ERBB2EGFRJAK3BTKJAK2
SCHEMBL6484938 0.79 ERBB2 (0.54) ERBB2EGFRJAK3BTKITK
SCHEMBL23902645 0.79 ERBB2 (0.60) ERBB2EGFR
SCHEMBL30241481 0.79 ERBB2 (0.60) ERBB2EGFR
SCHEMBL6492412 0.78 ERBB2 (0.67) ERBB2EGFRJAK3BTKITK

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 6 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-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US disclosed
US-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US 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 (1 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 228/4885JAK3 2043/4885

“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.