SCHEMBL5118150

SCHEMBL5118150

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2c(Cl)nccn12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
GRM5 P41594 2/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 2/20 0.32
CSNK1E P49674 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
ADRA1B P35368 1/20 0.32
PTAFR P25105 2/20 0.32
TRPA1 O75762 2/20 0.31
PKM P14618 1/20 0.31
TOP2A P11388 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL5121698 0.90 GRM5 (0.36) TP53POLBGRM5GAAMAPT
Hydrochloric Acid SCHEMBL5123193 0.89 GRM5 (0.36) TP53POLBGRM5GAAMAPT
SCHEMBL5119366 0.83 GAA (0.46) TP53GRM5GAAMAPTIDO1
SCHEMBL5118071 0.83 ADRA1B (0.51) TP53GAAMAPTSMN1; SMN2KDM4E
SCHEMBL5127205 0.83 GAA (0.43) TP53POLBGRM5GAAMAPT
SCHEMBL1253302 0.82 IDO1 (0.35) TP53POLBGRM5GAAMAPT
SCHEMBL5123348 0.82 SALL4 (0.48) TP53POLBGAAMAPTKDM4E
Hydrochloric Acid SCHEMBL5127777 0.82 ADRA1B (0.50) TP53GAAMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5116906 0.82 ADRA1B (0.50) TP53GAAMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5124088 0.81 SALL4 (0.47) TP53POLBGAAMAPTKDM4E

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 7 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

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 TP53 2432/4885POLB 2896/4885GRM5 3357/4885

“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.