SCHEMBL5115525

SCHEMBL5115525

COC(=O)CN(CC(=O)OC)c1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SALL4 Q9UJQ4 3/20 0.33
CDK9 P50750 1/20 0.33
SYK P43405 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32

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
SCHEMBL5117823 0.86 GAA (0.36) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5115034 0.84 GAA (0.47) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5115223 0.83 GAA (0.38) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5121495 0.81 CDK9 (0.36) GAAKDM4ELMNAMAPK1SALL4
SCHEMBL5115120 0.81 GAA (0.39) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5114305 0.79 KDM4E (0.40) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5121533 0.78 CDK9 (0.43) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5266187 0.78 GAA (0.32) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5269916 0.78 GAA (0.35) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5113507 0.77 GAA (0.43) GAAKDM4EALDH1A1HSD17B10HPGD

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 234/4885KDM4E 1336/4885ALDH1A1 2777/4885

“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.