SCHEMBL1613491

SCHEMBL1613491

COCCN(C)c1ccc(C#CC(C)(O)c2cc(C)on2)cc1Nc1nc(N)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 17/20 0.47
PAK4 O96013 3/20 0.42
PRKD1 Q15139 2/20 0.36

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
SCHEMBL1613974 0.87 PAK4 (0.46) MAP3K14PAK4PRKD1
SCHEMBL1613979 0.87 PAK4 (0.46) MAP3K14PAK4PRKD1
SCHEMBL1614853 0.87 PAK4 (0.46) MAP3K14PAK4PRKD1
SCHEMBL12743929 0.86 BRAF (0.37) MAP3K14
SCHEMBL1613528 0.85 PAK4 (0.49) MAP3K14PAK4PRKD1
SCHEMBL1611642 0.84 MAP3K14 (0.50) MAP3K14PAK4PRKD1
SCHEMBL1613463 0.83 MAP3K14 (0.68) MAP3K14
SCHEMBL1613687 0.83 MAP3K14 (0.68) MAP3K14
SCHEMBL1613461 0.83 MAP3K14 (0.68) MAP3K14
SCHEMBL1612226 0.82 MAP3K14 (0.49) MAP3K14PAK4PRKD1

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 5 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
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 MAP3K14 17/4885PAK4 323/4885PRKD1 286/4885

“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.