SCHEMBL1248890

SCHEMBL1248890

O=C(Nc1cccc(F)c1)c1ccc2[nH]nnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
DYRK3 O43781 1/20 0.54
ROCK2 O75116 1/20 0.54
MAP4K4 O95819 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CLK2 P49760 1/20 0.54
CSNK2A1 P68400 1/20 0.54
ROCK1 Q13464 1/20 0.54
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
KCNK3 O14649 2/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAOB P27338 1/20 0.51
CD40 P25942 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
SCHEMBL1247477 0.85 JAK2 (0.58) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL1250572 0.85 MEN1 (0.60) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL1249018 0.81 HPSE (0.58) MEN1KMT2AROCK2CD40CD40LG
SCHEMBL1247454 0.79 MEN1 (0.55) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL1248942 0.78 CD40 (0.53) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL1249005 0.78 TP53 (0.54) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL7773324 0.78 NPC1 (0.59) NPC1RAB9AMEN1KMT2AKCNK3
SCHEMBL11512715 0.78 MEN1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4101535 0.78 JAK2 (0.62) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL5415113 0.78 NPC1 (0.82) NPC1RAB9ADYRK3ROCK2MAP4K4

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 7 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-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
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP 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 (1 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB NPC1 3787/4885RAB9A 1951/4885HPGD 3478/4885

“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.