SCHEMBL5115584

SCHEMBL5115584

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccc3)s2)nc2ccc(Cl)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
TP53 P04637 5/20 0.46
TRPA1 O75762 2/20 0.44
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
TOP2A P11388 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 2/20 0.38
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRD O14764 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
SCHEMBL5121648 0.87 ADRA1B (0.45) GAATP53MAPTPOLBTOP2A
SCHEMBL5120750 0.86 IDO1 (0.37) GAATP53TRPA1IDO1
SCHEMBL5117777 0.85 BRD4 (0.41) TP53MAPTPOLBTOP2AALDH1A1
SCHEMBL5125223 0.82 GAA (0.49) GAATP53MAPTPOLBALDH1A1
SCHEMBL1252674 0.80 IDO1 (0.63) GAATP53MAPTPOLBIDO1
SCHEMBL5115166 0.79 BRD4 (0.45) GAATP53TRPA1MAPTTOP2A
SCHEMBL5114372 0.79 GAA (0.43) GAATP53MAPTALDH1A1IDO1
SCHEMBL5120714 0.78 MAPT (0.51) GAATP53MAPTPOLBNR1H4
SCHEMBL5117780 0.77 IDO1 (0.34) TP53MAPTPOLBIDO1SMN1; SMN2
SCHEMBL5114996 0.77 MAPT (0.48) GAATP53TRPA1MAPTTOP2A

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 GAA 234/4885TP53 2432/4885TRPA1 3616/4885

“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.