SCHEMBL3540845

SCHEMBL3540845

O=c1[nH]nc(-c2ncccn2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
KDR P35968 2/20 0.57
PDGFRB P09619 1/20 0.57
FGFR1 P11362 1/20 0.57
NPC1 O15118 9/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 4/20 0.51
PKM P14618 3/20 0.51
LMNA P02545 2/20 0.51
METAP2 P50579 2/20 0.51
MTOR P42345 1/20 0.51
METAP1 P53582 1/20 0.51
GBA1 P04062 1/20 0.50
BTK Q06187 1/20 0.50
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
KDM4E B2RXH2 6/20 0.48

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
SCHEMBL3540544 0.85 GSK3B (0.54) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3538249 0.85 GSK3B (0.54) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3539324 0.85 GSK3B (0.58) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL2641186 0.83 GSK3B (0.66) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3538845 0.82 GSK3B (0.55) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3536029 0.80 METAP1 (0.64) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3536522 0.80 GSK3B (0.56) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3531848 0.80 KDR (0.61) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3535301 0.80 GSK3B (0.65) GSK3BKDRPDGFRBFGFR1NPC1
SCHEMBL3540241 0.79 GSK3B (0.67) GSK3BKDRPDGFRBFGFR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US claimed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 EP disclosed
EP-1725543-B1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-28 EP disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
EP-1725543-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085230-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
WO-2005085230-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 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 (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-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB GSK3B 1/4885KDR 2532/4885PDGFRB 579/4885

“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.