SCHEMBL1613847

SCHEMBL1613847

CC(C)(O)C#Cc1ccc2c(c1)N(c1ccnc(N)n1)CC2

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 7/20 0.72
ROCK1 Q13464 8/20 0.59
MAP3K14 Q99558 3/20 0.59
PIKFYVE Q9Y2I7 3/20 0.58
PAK4 O96013 2/20 0.58
MAP4K4 O95819 1/20 0.54

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
SCHEMBL1611765 0.91 TTBK1 (0.60) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1614510 0.89 TTBK1 (0.58) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1614244 0.89 TTBK1 (0.58) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1613536 0.88 TTBK1 (0.56) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1613400 0.88 TTBK1 (0.56) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1613085 0.87 TTBK1 (0.56) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1613287 0.87 TTBK1 (0.56) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1614201 0.87 TTBK1 (0.56) TTBK1ROCK1MAP3K14PIKFYVEPAK4
SCHEMBL1614503 0.86 MAP3K14 (0.73) TTBK1ROCK1MAP3K14PAK4MAP4K4
SCHEMBL1614052 0.86 MAP3K14 (0.73) TTBK1ROCK1MAP3K14PAK4MAP4K4

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 TTBK1 888/4885ROCK1 609/4885MAP3K14 17/4885

“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.