SCHEMBL3557600

SCHEMBL3557600

O=CCCn1cc(-c2ccncc2F)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.36
CDC7 O00311 3/20 0.34
NUDT1 P36639 2/20 0.34
LMNA P02545 1/20 0.33
MELK Q14680 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
BUB1 O43683 1/20 0.31
TK2 O00142 2/20 0.31
ICMT O60725 1/20 0.31
METAP2 P50579 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL3560818 0.83 TK2 (0.38) TK2
SCHEMBL3567537 0.81 TNKS (0.41) TNKSCDC7NUDT1LMNAMELK
SCHEMBL3564803 0.78 GSK3B (0.35) GSK3B
SCHEMBL5728463 0.75 LMNA (0.52) LMNADAO
SCHEMBL3560668 0.75 LMNA (0.35) LMNATK2
SCHEMBL3563951 0.74 DRD1 (0.36) LMNA
SCHEMBL3562767 0.74 LMNA (0.34) LMNA
SCHEMBL3568752 0.73 ADORA1 (0.37) GSK3BDAO
SCHEMBL3557752 0.73 DAO (0.33) LMNATK2DAO
SCHEMBL3556887 0.72 MET (0.34) TK2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
CN-101460485-A Azabicyclo [3.1.0] hexyl derivatives as modulators of dopamine D3 receptor GLAXO GROUP LTD (GB) 2009-06-17 CN disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] 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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 TNKS 1466/4885CDC7 1248/4885NUDT1 14/4885

“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.