SCHEMBL1613528

SCHEMBL1613528

COc1ccc(C#CC(C)(O)c2cc(C)on2)cc1Nc1nc(N)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.49
MAP3K14 Q99558 17/20 0.48
PRKD1 Q15139 2/20 0.40

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 0.92 PAK4 (0.46) PAK4MAP3K14PRKD1
SCHEMBL1613979 0.92 PAK4 (0.46) PAK4MAP3K14PRKD1
SCHEMBL1614853 0.92 PAK4 (0.46) PAK4MAP3K14PRKD1
SCHEMBL1611642 0.91 MAP3K14 (0.50) PAK4MAP3K14PRKD1
SCHEMBL1614185 0.89 MAP3K14 (0.49) PAK4MAP3K14PRKD1
SCHEMBL1612226 0.89 MAP3K14 (0.49) PAK4MAP3K14PRKD1
SCHEMBL1613510 0.89 MAP3K14 (0.49) PAK4MAP3K14PRKD1
SCHEMBL1612220 0.89 MAP3K14 (0.49) PAK4MAP3K14PRKD1
SCHEMBL1822048 0.88 MAP3K14 (0.45) PAK4MAP3K14
SCHEMBL1822045 0.88 MAP3K14 (0.45) PAK4MAP3K14

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 4 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

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 PAK4 323/4885MAP3K14 17/4885PRKD1 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.