SCHEMBL3425316

SCHEMBL3425316

CC(C)N1CCN(Cc2ccc3cc(-c4cc(-c5ccncc5)n[nH]c4=O)[nH]c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
CHEK1 O14757 16/20 0.43
PARP1 P09874 2/20 0.42
KCNH2 Q12809 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL3427390 0.93 CHEK1 (0.51) GSK3BCHEK1
SCHEMBL1750093 0.90 GSK3B (0.54) GSK3BCHEK1PARP1KCNH2PARP2
SCHEMBL1750700 0.90 CHEK1 (0.52) GSK3BCHEK1CLK2CLK3DYRK1A
SCHEMBL1750176 0.89 CHEK1 (0.54) GSK3BCHEK1CLK2CLK3DYRK1A
SCHEMBL3424578 0.89 CHEK1 (0.54) GSK3BCHEK1CLK2CLK3DYRK1A
SCHEMBL3428953 0.87 CHEK1 (0.44) GSK3BCHEK1PARP1KCNH2PARP2
SCHEMBL1751903 0.87 CHEK1 (0.53) GSK3BCHEK1PARP1
SCHEMBL3424346 0.85 CHEK1 (0.45) GSK3BCHEK1PARP1KCNH2PARP2
SCHEMBL3426510 0.84 CHEK1 (0.50) GSK3BCHEK1PARP1
SCHEMBL3424227 0.84 CHEK1 (0.47) GSK3BCHEK1PARP1KCNH2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 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 (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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK GSK3B 1/4885CHEK1 242/4885PARP1 992/4885

“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.