SCHEMBL4096473

SCHEMBL4096473

c1ccc2cc(Cn3ccc4cc(-c5nn[nH]n5)ccc43)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.49
AGTR1 P30556 2/20 0.48
AGTR2 P50052 2/20 0.48
GRM2 Q14416 1/20 0.48
CCR2 P41597 1/20 0.45
PFKFB3 Q16875 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41

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
SCHEMBL1250934 0.88 GP6 (0.51) PLA2G4AAGTR1AGTR2GRM2CCR2
SCHEMBL1250386 0.88 GRM2 (0.48) PLA2G4AAGTR1AGTR2GRM2CCR2
SCHEMBL12892290 0.85 GP6 (0.54) PLA2G4AGRM2PFKFB3PDE7APDE7B
SCHEMBL4096357 0.85 RPA1 (0.52) PLA2G4AAGTR1AGTR2GRM2CCR2
SCHEMBL4088569 0.84 PLA2G4A (0.56) PLA2G4AAGTR1AGTR2GRM2PTGDR2
SCHEMBL4103980 0.84 GRM2 (0.48) PLA2G4AAGTR1AGTR2GRM2CCR2
SCHEMBL4089239 0.84 PLA2G4A (0.51) PLA2G4AAGTR1AGTR2GRM2
SCHEMBL4088566 0.84 GRM2 (0.49) PLA2G4AAGTR1AGTR2GRM2PTGDR2
SCHEMBL1248028 0.84 ATM (0.51) PLA2G4AAGTR1AGTR2GRM2CCR2
SCHEMBL12914817 0.84 PLA2G4A (0.48) PLA2G4AAGTR1AGTR2GRM2CCR2

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-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 US disclosed
CN-1787833-A Pharmaceutical preparation comprising acid-stabilized insulin NOVO NORDISK AS (DK) 2006-06-14 CN disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US 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 (4 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-20060258561-A1 Novel NPH insulin preparations IAPP, HBB, INSR PLA2G4A 4850/4885AGTR1 972/4885AGTR2 1616/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR PLA2G4A 4116/4885AGTR1 1475/4885AGTR2 2403/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR PLA2G4A 4510/4885AGTR1 1033/4885AGTR2 2109/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB PLA2G4A 4747/4885AGTR1 2210/4885AGTR2 3244/4885

“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.