SCHEMBL2196171

SCHEMBL2196171

c1ccc(-c2ccc3c(NCc4ccncc4)noc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.50
KDR P35968 2/20 0.44
CLK4 Q9HAZ1 4/20 0.43
GSK3B P49841 2/20 0.43
PRKACA P17612 2/20 0.43
CLK2 P49760 2/20 0.43
ROCK1 Q13464 2/20 0.43
DYRK1A Q13627 2/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCQ Q04759 1/20 0.43
LRRK2 Q5S007 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 2/20 0.43
MAP4K4 O95819 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CDC7 O00311 1/20 0.43

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
SCHEMBL2198322 0.89 EPHX2 (0.48) EPHX2KDRROCK2ALDH1A1LMNA
SCHEMBL2194237 0.86 CYP1A2 (0.53) EPHX2CLK4PDE5AUSP2ALDH1A1
SCHEMBL2198123 0.85 HPGD (0.54) EPHX2CLK4PDE5AUSP2ALDH1A1
SCHEMBL2198240 0.85 ALDH1A1 (0.54) EPHX2CDC7PDE5AALDH1A1LMNA
SCHEMBL2198662 0.84 CYP3A4 (0.47) EPHX2CLK4DYRK1AJAK2USP2
SCHEMBL2201030 0.83 CYP3A4 (0.47) EPHX2CLK4GSK3BPRKACACLK2
SCHEMBL2198502 0.83 EPHX2 (0.55) EPHX2LMNAHIF1AWNT3A
SCHEMBL2197333 0.82 PDE5A (0.48) EPHX2CLK4PDE5AALDH1A1
SCHEMBL2197915 0.81 CLK4 (0.52) EPHX2CLK4USP2ALDH1A1LMNA
SCHEMBL2198386 0.81 PDE5A (0.53) EPHX2CLK4PDE5AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US claimed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US claimed
EP-1888541-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122799-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2006-11-23 WO claimed
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US disclosed
EP-1888541-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122799-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2006-11-23 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-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPV5 EPHX2 3605/4885KDR 777/4885CLK4 3326/4885

“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.