SCHEMBL12714515

SCHEMBL12714515

CC(O)(C#Cc1ccc2c(c1)N(c1ncncn1)CC21CCOCC1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 19/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PAK4 O96013 1/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ TNK2 Q07912 1/20 0.45
▸ NTRK3 Q16288 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45

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
SCHEMBL1614545 1.00 MAP3K14 (0.48) MAP3K14MAP4K4PAK4JAK1JAK3
SCHEMBL1614300 0.92 MAP3K14 (0.47) MAP3K14MAP4K4PAK4JAK1JAK3
SCHEMBL1613922 0.88 MAP3K14 (0.55) MAP3K14MAP4K4PAK4JAK1JAK3
SCHEMBL12714516 0.86 MAP3K14 (0.52) MAP3K14MAP4K4PAK4JAK1JAK3
SCHEMBL1614184 0.86 MAP3K14 (0.52) MAP3K14MAP4K4PAK4JAK1JAK3
SCHEMBL1613439 0.83 MAP3K14 (0.70) MAP3K14MAP4K4PAK4
SCHEMBL1613813 0.83 MAP3K14 (0.70) MAP3K14MAP4K4PAK4
SCHEMBL12714849 0.83 MAP3K14 (0.70) MAP3K14MAP4K4PAK4
SCHEMBL1612557 0.83 MAP3K14 (0.70) MAP3K14MAP4K4PAK4
SCHEMBL12743846 0.83 KCNH2 (0.42) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 57/4885PAK4 323/4885

“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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