SCHEMBL12743907

SCHEMBL12743907

CC(O)(c1ccc(OC2CCOC2)c(Nc2nc(N)ncc2Cl)c1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.46
CNR2 P34972 2/20 0.36
ERBB2 P04626 3/20 0.35
KDR P35968 2/20 0.35
EPHA2 P29317 1/20 0.35
EPHB4 P54760 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK1 O14757 1/20 0.34
KCNH2 Q12809 3/20 0.34
PRKDC P78527 1/20 0.34
EGFR P00533 6/20 0.34
ATR Q13535 2/20 0.34
SRC P12931 2/20 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 1.00 MAP3K14 (0.46) MAP3K14CNR2ERBB2KDREPHA2
SCHEMBL12743908 0.95 MAP3K14 (0.50) MAP3K14CNR2MAP4K4KCNH2PRKDC
SCHEMBL1614897 0.86 MAP3K14 (0.64) MAP3K14MAP4K4
SCHEMBL1822232 0.86 MAP3K14 (0.64) MAP3K14MAP4K4
SCHEMBL1614900 0.86 MAP3K14 (0.64) MAP3K14MAP4K4
SCHEMBL12743891 0.85 MAP3K14 (0.43) MAP3K14CNR2MAP4K4
SCHEMBL12743918 0.85 MAP3K14 (0.43) MAP3K14CNR2MAP4K4
SCHEMBL12743240 0.83 MAP3K14 (0.52) MAP3K14KDRKCNH2PRKDCEGFR
SCHEMBL12743916 0.83 ERBB2 (0.35) MAP3K14CNR2ERBB2KDREPHA2
SCHEMBL12742573 0.81 MAP3K14 (0.45) MAP3K14CNR2KCNH2PRKDC

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 17/4885CNR2 1549/4885ERBB2 336/4885

“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.