SCHEMBL1613205

SCHEMBL1613205

CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2(C)C)c1cc[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 14/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PIKFYVE Q9Y2I7 5/20 0.33
▸ PAK4 O96013 3/20 0.32
▸ TTBK1 Q5TCY1 2/20 0.32
▸ PRKX P51817 1/20 0.32
▸ TAOK1 Q7L7X3 1/20 0.32
▸ TSSK3 Q96PN8 1/20 0.32
▸ TSSK1B Q9BXA7 1/20 0.32
▸ TAOK3 Q9H2K8 1/20 0.32
▸ PAK6 Q9NQU5 1/20 0.32
▸ PAK5 Q9P286 1/20 0.32
▸ TAOK2 Q9UL54 1/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL1611669 0.86 MAP3K14 (0.54) MAP3K14MAP4K4PIKFYVEPAK4PIK3CA
SCHEMBL1614077 0.86 MAP3K14 (0.51) MAP3K14MAP4K4PIKFYVEPAK4TTBK1
SCHEMBL12714531 0.86 MAP3K14 (0.51) MAP3K14MAP4K4PIKFYVEPAK4TTBK1
SCHEMBL1613690 0.85 MAP3K14 (0.51) MAP3K14MAP4K4PAK4
SCHEMBL1613620 0.85 MAP3K14 (0.54) MAP3K14MAP4K4PIKFYVEPAK4TTBK1
SCHEMBL1613641 0.83 MAP3K14 (0.51) MAP3K14MAP4K4PIKFYVETTBK1PIK3CA
SCHEMBL1614416 0.83 MAP3K14 (0.58) MAP3K14MAP4K4PIKFYVEPAK4
SCHEMBL1614002 0.83 MAP3K14 (0.54) MAP3K14MAP4K4PIKFYVEPAK4TTBK1
SCHEMBL13575074 0.83 MAP3K14 (0.49) MAP3K14MAP4K4PIKFYVEPAK4TTBK1
SCHEMBL1612725 0.83 MAP3K14 (0.49) MAP3K14MAP4K4PIKFYVEPAK4TTBK1

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
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
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 17/4885MAP4K4 57/4885PIKFYVE 126/4885

“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.

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