SCHEMBL4096015

SCHEMBL4096015

Cc1c(C=O)cc2c([nH]c3ccccc32)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
AHR P35869 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PIM3 Q86V86 2/20 0.51
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
KIF11 P52732 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
NQO2 P16083 1/20 0.45
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PARP1 P09874 1/20 0.43
CYP2A6 P11509 1/20 0.42
IMPDH2 P12268 1/20 0.42
ABCB1 P08183 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL1290995 0.81 PIM3 (0.59) MAPTAHRMEN1KMT2APIM3
SCHEMBL3189571 0.79 KIF11 (0.59) MAPTAHRMEN1KMT2AKIF11
SCHEMBL1779012 0.78 MEN1 (0.54) MAPTAHRMEN1KMT2APIM3
SCHEMBL29954096 0.78 MEN1 (0.54) MAPTAHRMEN1KMT2APIM3
SCHEMBL29726994 0.78 KIF11 (0.58) MAPTAHRMEN1KMT2AKIF11
SCHEMBL15019585 0.78 KIF11 (0.58) MAPTAHRMEN1KMT2AKIF11
SCHEMBL16414204 0.75 MAPT (0.50) MAPTAHRMEN1KMT2AKIF11
SCHEMBL31188786 0.74 KIF11 (0.58) MAPTAHRMEN1KMT2APIM3
SCHEMBL5992606 0.74 KIF11 (0.58) MAPTAHRMEN1KMT2APIM3
SCHEMBL2253358 0.74 PIM1 (0.63) MAPTAHRMEN1KMT2APIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 US disclosed
WO-2006087019-A1 AGENTS FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-24 WO disclosed
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 WO disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 US disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 EP disclosed
EP-1605967-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2005-12-21 EP disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 EP 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
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 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 (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 MAPT 1772/4885AHR 1903/4885MEN1 680/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR MAPT 2757/4885AHR 1997/4885MEN1 395/4885
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 MAPT 2242/4885AHR 1628/4885MEN1 299/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB MAPT 1785/4885AHR 2535/4885MEN1 912/4885

“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.