SCHEMBL5117929

SCHEMBL5117929

COc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3cnccn23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TUBB4A P04350 6/20 0.47
TUBB P07437 6/20 0.47
TUBA3C P0DPH7 6/20 0.47
TUBA1B P68363 6/20 0.47
TUBA4A P68366 6/20 0.47
TUBB4B P68371 6/20 0.47
TUBB3 Q13509 6/20 0.47
TUBB2A Q13885 6/20 0.47
TUBB8 Q3ZCM7 6/20 0.47
TUBA3E Q6PEY2 6/20 0.47

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
SCHEMBL5119935 0.88 GAA (0.53) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5127415 0.86 SALL4 (0.59) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5121920 0.85 ALDH1A1 (0.42) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5114398 0.84 BRD4 (0.46) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5121825 0.84 NR1H4 (0.47) GAAMAPTALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL5123502 0.83 BRD4 (0.45) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5113507 0.82 GAA (0.43) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5120229 0.81 CDK9 (0.50) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5121816 0.81 PKM (0.43) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL15452683 0.81 GAA (0.69) GAAMAPTALDH1A1KDM4ELMNA

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 GAA 234/4885MAPT 707/4885ALDH1A1 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.