SCHEMBL12743000

SCHEMBL12743000

Cc1nonc1C(C)(O)c1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.49
MAP4K4 O95819 1/20 0.49
TTBK1 Q5TCY1 1/20 0.33
ROCK1 Q13464 3/20 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
SCHEMBL12743831 0.85 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743001 0.83 MAP3K14 (0.51) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743723 0.83 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743403 0.83 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743727 0.83 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743825 0.83 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743054 0.83 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL12743050 0.83 MAP3K14 (0.49) MAP3K14MAP4K4TTBK1ROCK1
SCHEMBL1613961 0.83 MAP3K14 (0.67) MAP3K14MAP4K4TTBK1
SCHEMBL12743815 0.81 MAP3K14 (0.53) MAP3K14MAP4K4TTBK1ROCK1

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 57/4885TTBK1 888/4885

“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.