SCHEMBL12743244

SCHEMBL12743244

CC(O)(c1ccc(F)c(Nc2nc(N)ncc2Cl)c1)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 16/20 0.42
MAP4K4 O95819 1/20 0.39
PRKDC P78527 1/20 0.38
KCNH2 Q12809 1/20 0.38
BCL6 P41182 1/20 0.37
MDM2 Q00987 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL12742583 0.89 MAP3K14 (0.41) MAP3K14MAP4K4BCL6
SCHEMBL12743918 0.87 MAP3K14 (0.43) MAP3K14MAP4K4BCL6
SCHEMBL12743891 0.87 MAP3K14 (0.43) MAP3K14MAP4K4BCL6
SCHEMBL1613896 0.83 MAP3K14 (0.58) MAP3K14MAP4K4
SCHEMBL12743543 0.80 MAP3K14 (0.49) MAP3K14MAP4K4
SCHEMBL12743541 0.80 MAP3K14 (0.49) MAP3K14MAP4K4
SCHEMBL12743933 0.80 MAP3K14 (0.40) MAP3K14MAP4K4PRKDCKCNH2
SCHEMBL12743915 0.80 MAP3K14 (0.40) MAP3K14MAP4K4PRKDCKCNH2
SCHEMBL12743908 0.80 MAP3K14 (0.50) MAP3K14MAP4K4PRKDCKCNH2
SCHEMBL12743907 0.79 MAP3K14 (0.46) MAP3K14MAP4K4PRKDCKCNH2

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 57/4885PRKDC 59/4885

“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.