SCHEMBL12743908

SCHEMBL12743908

CC(O)(c1ccc(OC2CCOCC2)c(Nc2nc(N)ncc2Cl)c1)c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 8/20 0.50
SRC P12931 1/20 0.37
KCNH2 Q12809 3/20 0.36
TBK1 Q9UHD2 3/20 0.36
PRKDC P78527 2/20 0.36
MAP4K4 O95819 1/20 0.36
LRRK2 Q5S007 2/20 0.35
CNR2 P34972 1/20 0.34
ALK Q9UM73 2/20 0.34
INSR P06213 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
SCHEMBL12743544 0.95 MAP3K14 (0.46) MAP3K14SRCKCNH2PRKDCMAP4K4
SCHEMBL12743907 0.95 MAP3K14 (0.46) MAP3K14SRCKCNH2PRKDCMAP4K4
SCHEMBL12743240 0.88 MAP3K14 (0.52) MAP3K14SRCKCNH2TBK1PRKDC
SCHEMBL12743918 0.87 MAP3K14 (0.43) MAP3K14MAP4K4LRRK2CNR2ALK
SCHEMBL12743891 0.87 MAP3K14 (0.43) MAP3K14MAP4K4LRRK2CNR2ALK
SCHEMBL1612839 0.86 MAP3K14 (0.69) MAP3K14MAP4K4LRRK2
SCHEMBL12743532 0.83 SRC (0.37) MAP3K14SRCTBK1LRRK2ALK
SCHEMBL12743757 0.82 MAP3K14 (0.39) MAP3K14KCNH2TBK1PRKDCMAP4K4
SCHEMBL1614897 0.82 MAP3K14 (0.64) MAP3K14MAP4K4LRRK2
SCHEMBL1614900 0.82 MAP3K14 (0.64) MAP3K14MAP4K4LRRK2

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 17/4885SRC 230/4885KCNH2 3470/4885

“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.