SCHEMBL6483181

SCHEMBL6483181

C=CC(=O)N1CCc2cc(Nc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)n3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
ERBB2 P04626 17/20 0.47
EGFR P00533 15/20 0.45
ERBB4 Q15303 5/20 0.45
JAK3 P52333 3/20 0.45
MEN1 O00255 1/20 0.43
RGS12 O14924 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAF1 P04049 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL6482094 0.94 BTK (0.58) BTKERBB2EGFRERBB4JAK3
SCHEMBL6495527 0.84 ERBB2 (0.52) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6483179 0.82 ERBB2 (0.46) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6484248 0.82 ERBB2 (0.50) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6482672 0.81 ERBB2 (0.62) BTKERBB2EGFRERBB4JAK3
SCHEMBL6492412 0.79 ERBB2 (0.67) BTKERBB2EGFRERBB4JAK3
SCHEMBL6493576 0.79 BTK (0.58) BTKEGFR
SCHEMBL6482092 0.77 ERBB2 (0.46) ERBB2EGFRERBB4JAK3MEN1
SCHEMBL6484938 0.76 ERBB2 (0.54) BTKERBB2EGFRERBB4JAK3
SCHEMBL6482142 0.75 ERBB2 (0.59) ERBB2EGFRERBB4JAK3

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-20030139416-A1 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. 2003-07-24 US 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 BTK 204/4885ERBB2 440/4885EGFR 228/4885

“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.