SCHEMBL12714780

SCHEMBL12714780

CCCCN1CC2(C1)CN(c1nc(N)ncc1Cl)c1cc(C#C[C@@](C)(O)c3nccs3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 19/20 0.66
▸ MAP4K4 O95819 1/20 0.66
▸ PAK4 O96013 1/20 0.42

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
SCHEMBL12714775 0.96 MAP3K14 (0.68) MAP3K14MAP4K4PAK4
SCHEMBL1613611 0.91 MAP3K14 (0.65) MAP3K14MAP4K4PAK4
SCHEMBL1613134 0.90 MAP3K14 (0.73) MAP3K14MAP4K4PAK4
SCHEMBL1614356 0.90 MAP3K14 (0.73) MAP3K14MAP4K4PAK4
SCHEMBL12714766 0.90 MAP3K14 (0.73) MAP3K14MAP4K4PAK4
SCHEMBL1614449 0.90 MAP3K14 (0.73) MAP3K14MAP4K4PAK4
SCHEMBL1613645 0.90 MAP3K14 (0.65) MAP3K14MAP4K4PAK4
SCHEMBL12715155 0.87 MAP3K14 (0.73) MAP3K14MAP4K4PAK4
SCHEMBL1614220 0.87 MAP3K14 (0.73) MAP3K14MAP4K4PAK4
SCHEMBL1614105 0.87 MAP3K14 (0.75) MAP3K14MAP4K4PAK4

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 1 patent. 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

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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