SCHEMBL3568751

SCHEMBL3568751

Cc1cc(-c2cc[nH]c(=O)n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
WNT3A P56704 4/20 0.43
UHRF1 Q96T88 1/20 0.42
DYRK1A Q13627 3/20 0.41
MAPK1 P28482 2/20 0.41
PIM1 P11309 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ROCK2 O75116 2/20 0.40
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL12927876 0.78 MAPK1 (0.42) PIK3CAPIK3CBMAPK1
SCHEMBL7210200 0.77 MAPK1 (0.50) MAP4K4CYP3A4CYP2C9PIK3CAPIK3CB
SCHEMBL15261970 0.77 PIM1 (0.37) MAP4K4PIK3CACDK8DYRK1APIM1
SCHEMBL2354303 0.75 MEN1 (0.46)
SCHEMBL2349960 0.75 XDH (0.53)
SCHEMBL11236470 0.74 PDE3B (0.48) MAP4K4CYP3A4CYP2C9PIK3CAPIK3CB
SCHEMBL23649093 0.74 DYRK1A (0.47) MAP4K4CCNCCDK8WNT3AUHRF1
SCHEMBL30041396 0.74 DYRK1A (0.47) MAP4K4CCNCCDK8WNT3AUHRF1
SCHEMBL15353267 0.73 WNT3A (0.49) CCNCCDK8WNT3ADYRK1AMAPK1
SCHEMBL17465919 0.73 KDM4E (0.54) MAP4K4CCNCCDK8WNT3AUHRF1

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-2007751-B1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-8222266-B2 Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
US-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-18 US disclosed
EP-2007751-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2007113260-A1 AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20100069416-A1 Azabicyclo [3.1.0] Hexyl Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, HTR3A MAP4K4 3803/4885CYP3A4 693/4885CYP2C9 764/4885

“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.