SCHEMBL5129367

SCHEMBL5129367

C(#Cc1ccccn1)c1cccc(-c2nc3ncccn3c2NC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.60
AURKB Q96GD4 3/20 0.60
MAPK1 P28482 2/20 0.60
ROCK2 O75116 2/20 0.60
GSK3B P49841 2/20 0.60
CDC7 O00311 1/20 0.60
DAPK3 O43293 1/20 0.60
DYRK3 O43781 1/20 0.60
PRKD3 O94806 1/20 0.60
PRKCG P05129 1/20 0.60
CDK1 P06493 1/20 0.60
FES P07332 1/20 0.60
PRKACA P17612 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CDK2 P24941 1/20 0.60
AKT1 P31749 1/20 0.60
AKT2 P31751 1/20 0.60
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
CLK2 P49760 1/20 0.60

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
SCHEMBL5129666 0.89 MAPK1 (0.54) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5128462 0.88 ALDH1A1 (0.60) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5127784 0.85 PIM1 (0.57) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5121161 0.82 TRPA1 (0.60) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5121140 0.82 GAA (0.43) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5117102 0.82 ALDH1A1 (0.49) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5129371 0.82 GAA (0.66) AURKBMAPK1ROCK2GSK3BGAA
SCHEMBL5120848 0.79 GAA (0.67) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5120957 0.79 GFER (0.44) PIM1AURKBMAPK1ROCK2GSK3B
SCHEMBL5117154 0.77 GAA (0.42) PIM1AURKBMAPK1ROCK2GSK3B

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 PIM1 1255/4885AURKB 438/4885MAPK1 4416/4885

“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.