SCHEMBL5127784

SCHEMBL5127784

C(#Cc1ccccn1)c1cccc(-c2nc3cnccn3c2NC2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.57
AURKB Q96GD4 3/20 0.57
ALOX5 P09917 2/20 0.56
GAA P10253 7/20 0.55
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
GFER P55789 3/20 0.55
HPGD P15428 1/20 0.55
TLR9 Q9NR96 3/20 0.53
ATM Q13315 3/20 0.53
SALL4 Q9UJQ4 2/20 0.51
HTT P42858 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50

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
SCHEMBL5128822 0.89 GAA (0.64) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5128462 0.89 ALDH1A1 (0.60) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5121054 0.89 ALOX5 (0.55) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5118740 0.88 GAA (0.55) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5117102 0.85 ALDH1A1 (0.49) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5129367 0.85 PIM1 (0.60) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5121161 0.83 TRPA1 (0.60) PIM1AURKBALOX5GAAALDH1A1
SCHEMBL5127788 0.83 GAA (0.56) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5117161 0.82 SALL4 (0.48) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5127358 0.81 ALOX5 (0.52) PIM1AURKBALOX5GAAALDH1A1

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 438/4885ALOX5 4142/4885

“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.