SCHEMBL5117777

SCHEMBL5117777

COC(=O)c1ccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NC(C)(C)CC(C)(C)C)n2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
TRIM33 Q9UPN9 10/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TRIM24 O15164 4/20 0.37
IDO1 P14902 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
HTR6 P50406 1/20 0.36
TOP2A P11388 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALDH1A3 P47895 1/20 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
SCHEMBL5115584 0.85 GAA (0.46) BRD4TP53POLBMAPTIDO1
SCHEMBL5121648 0.82 ADRA1B (0.45) BRD4TRIM33TP53POLBMAPT
SCHEMBL5112876 0.81 IDO1 (0.38) POLBIDO1ALDH1A1
SCHEMBL5117780 0.78 IDO1 (0.34) BRD4TP53POLBMAPTIDO1
SCHEMBL5125223 0.78 GAA (0.49) BRD4TP53POLBMAPTIDO1
SCHEMBL1252674 0.77 IDO1 (0.63) BRD4TP53POLBMAPTIDO1
SCHEMBL5115166 0.75 BRD4 (0.45) BRD4TP53MAPTTOP2AALDH1A1
SCHEMBL5114372 0.75 GAA (0.43) BRD4TP53MAPTIDO1ALDH1A1
SCHEMBL5120750 0.75 IDO1 (0.37) TP53IDO1
SCHEMBL5120714 0.74 MAPT (0.51) TP53POLBMAPTALDH1A1

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
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
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

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 83/4885TRIM33 3687/4885TP53 2432/4885

“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.