SCHEMBL4101535

SCHEMBL4101535

O=C(Nc1ccc2[nH]nnc2c1)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.62
JAK1 P23458 1/20 0.62
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
RXFP1 Q9HBX9 1/20 0.55
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
KCNQ5 Q9NR82 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NTRK1 P04629 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL7773324 0.85 NPC1 (0.59) JAK2JAK1MAOAMAOBKCNK3
SCHEMBL15652069 0.83 CD40 (0.47) JAK2JAK1MEN1KMT2ANPC1
SCHEMBL11512715 0.80 MEN1 (0.57) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL1247477 0.78 JAK2 (0.58) JAK2JAK1ALDH1A1POLBMEN1
SCHEMBL1248890 0.78 NPC1 (0.55) MAOBKCNK3KCNK9MEN1KMT2A
SCHEMBL1250572 0.78 MEN1 (0.60) MAOBALDH1A1POLBMEN1KMT2A
SCHEMBL15764674 0.78 ROCK2 (0.75) JAK2MAOBNPC1RAB9A
SCHEMBL1247454 0.76 MEN1 (0.55) JAK2JAK1ALDH1A1POLBMEN1
SCHEMBL27180087 0.76 MEN1 (0.58) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL30926420 0.76 MEN1 (0.58) ALDH1A1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951316-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE (US) 2018-04-24 US disclosed
US-20150191701-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE 2015-07-09 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
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
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 JAK2 3000/4885JAK1 3424/4885MAOA 4438/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR JAK2 3763/4885JAK1 3570/4885MAOA 4401/4885
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 JAK2 1758/4885JAK1 2033/4885MAOA 4740/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB JAK2 1032/4885JAK1 1470/4885MAOA 4691/4885

“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.