SCHEMBL5118071

SCHEMBL5118071

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2ccccn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.51
TOP2A P11388 1/20 0.44
TRIM24 O15164 1/20 0.44
SALL4 Q9UJQ4 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
GAA P10253 5/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PKLR P30613 1/20 0.43
BACE1 P56817 5/20 0.42
BACE2 Q9Y5Z0 5/20 0.42
BRD4 O60885 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
Hydrochloric Acid SCHEMBL5127777 0.99 ADRA1B (0.50) ADRA1BTOP2ATRIM24SALL4TRIM33
Hydrochloric Acid SCHEMBL5116906 0.99 ADRA1B (0.50) ADRA1BTOP2ATRIM24SALL4TRIM33
SCHEMBL5263543 0.90 ADRA1B (0.53) ADRA1BTOP2ATRIM24SALL4TRIM33
SCHEMBL5118664 0.90 MAPT (0.40) ADRA1BTOP2ATRIM24SALL4TRIM33
SCHEMBL5123348 0.89 SALL4 (0.48) ADRA1BTOP2ASALL4GAAMAPT
Hydrochloric Acid SCHEMBL5129005 0.89 ADRA1B (0.52) ADRA1BTOP2ATRIM24SALL4TRIM33
Hydrochloric Acid SCHEMBL5124088 0.89 SALL4 (0.47) ADRA1BTOP2ASALL4GAAMAPT
SCHEMBL5119366 0.88 GAA (0.46) ADRA1BGAAMAPTPKMTP53
SCHEMBL5127205 0.88 GAA (0.43) ADRA1BTOP2ATRIM24SALL4TRIM33
SCHEMBL5264877 0.87 ADRA1B (0.48) ADRA1BTOP2ATRIM24SALL4TRIM33

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 609/4885TOP2A 2972/4885TRIM24 4098/4885

“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.