SCHEMBL5116819

SCHEMBL5116819

Cc1cccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NC(C)(C)C)n12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.48
POLB P06746 2/20 0.48
PKLR P30613 3/20 0.47
PKM P14618 3/20 0.47
GAA P10253 12/20 0.43
TP53 P04637 7/20 0.42
MAPT P10636 6/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRA1B P35368 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GFER P55789 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
SCHEMBL5121834 0.84 ADRA1B (0.34) SMN1; SMN2POLBPKLRPKMGAA
SCHEMBL1252651 0.82 IDO1 (0.37) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL5115166 0.80 BRD4 (0.45) SMN1; SMN2GAATP53MAPTKDM4E
SCHEMBL5127334 0.80 GAA (0.60) SMN1; SMN2POLBPKLRPKMGAA
SCHEMBL5119818 0.79 PKM (0.41) SMN1; SMN2POLBPKLRPKMGAA
SCHEMBL5113697 0.78 NR1H4 (0.43) SMN1; SMN2POLBPKLRPKMGAA
SCHEMBL5127402 0.78 SALL4 (0.50) GAAMAPTKDM4EALDH1A1ADRA1B
SCHEMBL5120235 0.77 IKBKB (0.32) SMN1; SMN2GAAMAPT
SCHEMBL5122903 0.77 NR1H4 (0.43) SMN1; SMN2POLBPKLRPKMGAA
SCHEMBL5115623 0.76 ADRA1B (0.52) SMN1; SMN2PKLRPKMGAATP53

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 SMN1; SMN2 1463/4885POLB 2896/4885PKLR 1514/4885

“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.