SCHEMBL5129666

SCHEMBL5129666

Cc1cccc(C#Cc2cccc(-c3nc4ncccn4c3NC3CCCC3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
CDC7 O00311 1/20 0.54
DAPK3 O43293 1/20 0.54
DYRK3 O43781 1/20 0.54
ROCK2 O75116 1/20 0.54
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
CDK1 P06493 1/20 0.54
FES P07332 1/20 0.54
PIM1 P11309 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CDK2 P24941 1/20 0.54
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54

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
SCHEMBL5129367 0.89 PIM1 (0.60) MAPK1CDC7DAPK3DYRK3ROCK2
SCHEMBL5129206 0.85 ADORA1 (0.60) MAPK1ROCK2PIM1GSK3BAURKB
SCHEMBL5118740 0.83 GAA (0.55) MAPK1PIM1AURKBGAAALDH1A1
SCHEMBL5121054 0.82 ALOX5 (0.55) MAPK1PIM1AURKBGAAALDH1A1
SCHEMBL5117716 0.80 ALOX5 (0.64) GAAALDH1A1KDM4EALOX5GFER
SCHEMBL5119275 0.80 TRPA1 (0.61) GAAALDH1A1KDM4EALOX5SMN1; SMN2
SCHEMBL5113404 0.79 TRPA1 (0.60) GAAALDH1A1ALOX5HTT
SCHEMBL5128462 0.79 ALDH1A1 (0.60) MAPK1CDC7DAPK3DYRK3ROCK2
SCHEMBL5121140 0.77 GAA (0.43) MAPK1CDC7DAPK3DYRK3ROCK2
SCHEMBL5127784 0.74 PIM1 (0.57) MAPK1CDC7DAPK3DYRK3ROCK2

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 MAPK1 4416/4885CDC7 2980/4885DAPK3 1254/4885

“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.