SCHEMBL5116820

SCHEMBL5116820

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)cc2)nc2cnccn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.54
TAF1 P21675 1/20 0.54
TAF1L Q8IZX4 1/20 0.54
SALL4 Q9UJQ4 1/20 0.50
ADRA1B P35368 1/20 0.48
GAA P10253 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
TOP2A P11388 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BRAF P15056 2/20 0.43
CDK9 P50750 1/20 0.43
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5117161 0.89 SALL4 (0.48) BRD4TAF1TAF1LSALL4ADRA1B
SCHEMBL5115147 0.89 ADRA1B (0.63) BRD4SALL4ADRA1BTOP2ABACE1
SCHEMBL5122743 0.88 BRD4 (0.55) BRD4TAF1TAF1LSALL4ADRA1B
SCHEMBL5130378 0.85 BACE1 (0.55) BRD4ADRA1BGAAKDM4ELMNA
SCHEMBL5123955 0.83 SALL4 (0.49) BRD4TAF1TAF1LSALL4ADRA1B
SCHEMBL5129215 0.83 ADRA1B (0.45) BRD4TAF1TAF1LADRA1BGAA
SCHEMBL5113864 0.82 GAA (0.49) BRD4TAF1TAF1LSALL4ADRA1B
SCHEMBL5128822 0.82 GAA (0.64) SALL4GAAKDM4ELMNAMAPK1
SCHEMBL5118679 0.82 TUBB4A (0.61) SALL4GAAKDM4ELMNAMAPK1
SCHEMBL5123348 0.82 SALL4 (0.48) BRD4TAF1TAF1LSALL4ADRA1B

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 BRD4 83/4885TAF1 4480/4885TAF1L 4586/4885

“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.