SCHEMBL5129215

SCHEMBL5129215

CC(C)c1ccn2c(NC(C)(C)C)c(-c3ccc(C#Cc4ccccn4)cc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.45
BACE1 P56817 4/20 0.43
TOP2A P11388 2/20 0.42
BACE2 Q9Y5Z0 3/20 0.39
BRD4 O60885 3/20 0.39
TRPA1 O75762 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
IDO1 P14902 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAF1 P21675 1/20 0.36

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
SCHEMBL5128355 0.91 TRPA1 (0.44) ADRA1BBACE1TOP2ABACE2TRPA1
SCHEMBL5130378 0.88 BACE1 (0.55) ADRA1BBACE1TOP2ABACE2BRD4
SCHEMBL5115147 0.85 ADRA1B (0.63) ADRA1BBACE1TOP2ABACE2BRD4
SCHEMBL5116820 0.83 BRD4 (0.54) ADRA1BBACE1TOP2ABACE2BRD4
SCHEMBL5124502 0.80 TRPA1 (0.46) ADRA1BBACE1BACE2TRPA1GAA
SCHEMBL5124755 0.79 BACE1 (0.49) ADRA1BBACE1BACE2TRPA1GAA
SCHEMBL5117981 0.78 MAPT (0.61) ADRA1BBACE1TOP2ABRD4TRPA1
SCHEMBL5114519 0.77 ADRA1B (0.60) ADRA1BBACE1TOP2ABACE2BRD4
SCHEMBL5117161 0.75 SALL4 (0.48) ADRA1BBACE1BACE2BRD4TRPA1
SCHEMBL1252704 0.74 IDO1 (0.43) ADRA1BBACE1TOP2ABRD4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ADRA1B 609/4885BACE1 3684/4885TOP2A 2972/4885

“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.