SCHEMBL6281957

SCHEMBL6281957

c1ccc(-c2nc3ccc4ccccc4n3c2NC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.50
ALOX5 P09917 9/20 0.49
GAA P10253 4/20 0.46
ALDH1A1 P00352 1/20 0.46
PABPC1 P11940 1/20 0.46
MAPT P10636 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
HTT P42858 1/20 0.45
ROCK2 O75116 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3B P49841 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL1964835 0.83 ALOX5 (0.46) ADORA1ALOX5GAAALDH1A1MAPT
SCHEMBL13464371 0.83 ALOX5 (0.46) ADORA1ALOX5GAAALDH1A1PABPC1
SCHEMBL6943398 0.76 BACE1 (0.47) ADORA1ALOX5GAAALDH1A1PABPC1
SCHEMBL5166144 0.76 ADORA1 (0.57) ADORA1ALOX5GAAALDH1A1PABPC1
SCHEMBL7975156 0.75 ADORA1 (0.81) ADORA1ALOX5GAAALDH1A1MAPT
SCHEMBL2986663 0.74 ADORA1 (0.79) ADORA1ALOX5GAAALDH1A1MAPT
SCHEMBL5168342 0.71 ALOX5 (0.82) ADORA1ALOX5GAAALDH1A1MAPT
SCHEMBL2987486 0.70 ALOX5 (0.62) ADORA1ALOX5GAAMAPTTRIM33
SCHEMBL2983468 0.70 ALOX5 (0.62) ADORA1ALOX5GAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL5167314 0.70 ALOX5 (0.80) ADORA1ALOX5GAAALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
JP-2003517466-A 2003-05-27 JP claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 ADORA1 556/4885ALOX5 2675/4885GAA 3464/4885

“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.