SCHEMBL4089239

SCHEMBL4089239

Cc1ccc(Cn2ccc3cc(-c4nn[nH]n4)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.51
GRM2 Q14416 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
TP53 P04637 1/20 0.45
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL12892289 0.99 PLA2G4A (0.50) PLA2G4AGRM2HDAC3HDAC1HDAC2
SCHEMBL4096357 0.89 RPA1 (0.52) PLA2G4AGRM2HDAC3HDAC1HDAC2
SCHEMBL12892288 0.89 YTHDC1 (0.46) PLA2G4AGRM2PLGPLAU
SCHEMBL4088569 0.88 PLA2G4A (0.56) PLA2G4AGRM2HDAC3HDAC1HDAC2
SCHEMBL4105679 0.88 PLA2G4A (0.58) PLA2G4AGRM2AGTR1AGTR2TP53
SCHEMBL4088566 0.88 GRM2 (0.49) PLA2G4AGRM2HDAC3HDAC1HDAC2
SCHEMBL12914817 0.88 PLA2G4A (0.48) PLA2G4AGRM2AGTR1AGTR2TP53
SCHEMBL1250934 0.88 GP6 (0.51) PLA2G4AGRM2AGTR1AGTR2PLG
SCHEMBL1248028 0.88 ATM (0.51) PLA2G4AGRM2AGTR1AGTR2TP53
SCHEMBL1250386 0.88 GRM2 (0.48) PLA2G4AGRM2AGTR1AGTR2PLG

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 4850/4885GRM2 3274/4885HDAC3 2231/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR PLA2G4A 4116/4885GRM2 2255/4885HDAC3 2532/4885
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 4510/4885GRM2 2588/4885HDAC3 1601/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB PLA2G4A 4747/4885GRM2 2426/4885HDAC3 1361/4885

“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.