SCHEMBL5117557

SCHEMBL5117557

CC(C)(C)Nc1c(-c2ccc(C#Cc3cccc(Cl)c3)s2)nc2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.48
TRPA1 O75762 3/20 0.44
PKM P14618 2/20 0.43
TOP2A P11388 2/20 0.42
BACE1 P56817 5/20 0.42
BACE2 Q9Y5Z0 5/20 0.42
TRIM24 O15164 1/20 0.42
SALL4 Q9UJQ4 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 3/20 0.41
TP53 P04637 1/20 0.41
PKLR P30613 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
BRD4 O60885 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL5117968 0.89 ADRA1B (0.48) ADRA1BTRPA1PKMTOP2ABACE1
SCHEMBL5264250 0.89 ADRA1B (0.48) ADRA1BTRPA1PKMTOP2ABACE1
SCHEMBL5121270 0.88 ADRA1B (0.46) ADRA1BTRPA1PKMTOP2ABACE1
Hydrochloric Acid SCHEMBL5116930 0.88 ADRA1B (0.47) ADRA1BTRPA1PKMTOP2ABACE1
Hydrochloric Acid SCHEMBL5121423 0.87 ADRA1B (0.45) ADRA1BTRPA1PKMTOP2ABACE1
SCHEMBL5129775 0.87 ADRA1B (0.48) ADRA1BTRPA1PKMTOP2ABACE1
SCHEMBL5317735 0.86 ADRA1B (0.46) ADRA1BPKMTOP2ABACE1BACE2
SCHEMBL5128705 0.86 PKM (0.55) ADRA1BPKMTOP2ABACE1BACE2
Hydrochloric Acid SCHEMBL5127886 0.85 ADRA1B (0.45) ADRA1BPKMTOP2ABACE1BACE2
SCHEMBL5114390 0.85 TOP2A (0.56) ADRA1BPKMTOP2ABACE1BACE2

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 ADRA1B 609/4885TRPA1 3616/4885PKM 196/4885

“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.