SCHEMBL5587104

SCHEMBL5587104

CC(=Nc1c(C)cccc1C)c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HSP90AA1 P07900 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ADRA2A P08913 2/20 0.33

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
SCHEMBL5693492 0.98 PLAU (0.41) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5587265 0.85 GABRA1 (0.36) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16102025 0.85 PLAU (0.42) PLAUMEN1KMT2AKDM4ENPC1
SCHEMBL5693539 0.84 GABRA1 (0.35) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5693488 0.84 GRIN2D (0.38) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5587234 0.83 GRIN2D (0.35) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5587239 0.83 GRIN2D (0.35) PLAUGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17499742 0.83 PLAU (0.33) PLAUHSP90AA1KDM4ENPC1RAB9A
SCHEMBL17499655 0.82 PLAU (0.33) PLAUKDM4EMAPT
SCHEMBL16077932 0.81 GRIN2D (0.39) PLAUGRIN2DGRIN3BGRIN1GRIN2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 PLAU 3862/4885GRIN2D 1282/4885GRIN3B 1118/4885

“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.