SCHEMBL3872610

SCHEMBL3872610

O=C1[N]CCc2sccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.50
USP2 O75604 1/20 0.44
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37

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
SCHEMBL208564 0.88 USP2 (0.50) NOS2USP2PLK4CHEK1AURKA
SCHEMBL15219995 0.70 CES1 (0.50) NOS2USP2PLK4CHEK1AURKA
SCHEMBL1747122 0.69
SCHEMBL8060969 0.67 NOS2 (1.00) NOS2USP2PLK4CHEK1AURKA
Iodide SCHEMBL8099764 0.65 NOS2 (0.96) NOS2USP2PLK4CHEK1AURKA
SCHEMBL6899124 0.64 HTR2C (0.39) NOS2USP2PLK4CHEK1AURKA
SCHEMBL13070848 0.63 NOS2 (0.55) NOS2USP2PLK4CHEK1AURKA
SCHEMBL9038503 0.63 USP2 (0.44) NOS2USP2PLK4CHEK1AURKA
SCHEMBL8104298 0.63 NOS2 (0.55) NOS2USP2PLK4CHEK1AURKA
SCHEMBL17225406 0.62 NOS2 (0.45) NOS2USP2PLK4CHEK1AURKA

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
US-8642620-B2 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals SANOFI (FR) 2014-02-04 US disclosed
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
EP-1904476-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2009-02-25 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
EP-1904476-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1741708-A1 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed
WO-2007000248-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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 (2 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 NOS2 3/4885USP2 2762/4885PLK4 3912/4885
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 NOS2 3/4885USP2 2611/4885PLK4 3663/4885

“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.