SCHEMBL5114898

SCHEMBL5114898

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Br)s2)nc2cnccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.56
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.56
GFER P55789 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SALL4 Q9UJQ4 1/20 0.41
BRD4 O60885 5/20 0.41
TAF1 P21675 1/20 0.41
TAF1L Q8IZX4 1/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
CDK9 P50750 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL5115847 0.88 SALL4 (0.53) GAAALDH1A1POLBGFERMEN1
SCHEMBL5127905 0.85 GAA (0.52) GAAALDH1A1POLBGFERMEN1
SCHEMBL5118099 0.84 ADRA1B (0.48) GAAALDH1A1POLBGFERMEN1
SCHEMBL5128227 0.82 GAA (0.49) GAAALDH1A1POLBGFERMEN1
SCHEMBL27075702 0.82 GAA (0.57) GAAALDH1A1POLBGFERMEN1
SCHEMBL5125223 0.81 GAA (0.49) GAAALDH1A1POLBGFERMEN1
SCHEMBL5122926 0.81 GAA (0.48) GAAALDH1A1POLBGFERMEN1
SCHEMBL6644593 0.81 GAA (0.66) GAAALDH1A1POLBGFERMEN1
SCHEMBL5121596 0.79 GAA (0.47) GAAALDH1A1POLBGFERMEN1
SCHEMBL5127776 0.79 GAA (0.47) GAAALDH1A1POLBGFERMEN1

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
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
CN-101061118-A Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2007-10-24 CN 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 GAA 234/4885ALDH1A1 2777/4885POLB 2896/4885

“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.