SCHEMBL1614459

SCHEMBL1614459

CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
DYRK3 O43781 1/20 0.38
DYRK2 Q92630 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IMPDH2 P12268 6/20 0.36
AAK1 Q2M2I8 7/20 0.35
IMPDH1 P20839 2/20 0.33

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
SCHEMBL1487574 0.84 IMPDH2 (0.34) GAAMEN1KMT2AIMPDH2AAK1
SCHEMBL13753911 0.75 AAK1 (0.33) IMPDH2AAK1IMPDH1
SCHEMBL8313386 0.71 IMPDH2 (0.35) GAAMEN1KMT2AIMPDH2IMPDH1
SCHEMBL6099522 0.70 GSK3B (0.34) DYRK1ADYRK3DYRK2
SCHEMBL1614118 0.70 KRAS (0.40)
SCHEMBL12713876 0.70 POLB (0.42)
SCHEMBL6279232 0.69 GAA (0.34) GAAMEN1KMT2AIMPDH2IMPDH1
SCHEMBL22591311 0.66 GSK3B (0.33) GAAMEN1KMT2AIMPDH2
SCHEMBL6607846 0.64 GAA (0.53) GAAMEN1KMT2AIMPDH2AAK1
SCHEMBL11750737 0.64 PDGFRA (0.56)

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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 (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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 DYRK1A 1111/4885DYRK3 1265/4885DYRK2 1052/4885

“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.