SCHEMBL3425904

SCHEMBL3425904

COc1nnc(Cl)cc1-c1cc2ccc(CN3CCN(C)CC3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.38
TBK1 Q9UHD2 1/20 0.37
NR1H3 Q13133 3/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
FGFR3 P22607 1/20 0.35
HTR6 P50406 3/20 0.35
PARP1 P09874 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34

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
SCHEMBL3427396 0.87 NR1H2 (0.38) NR1H2TBK1NR1H3PARP1
SCHEMBL3426109 0.86 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL3427929 0.86 GSK3B (0.42) NR1H2NR1H3METAXLMERTK
SCHEMBL1751633 0.80 NR1H2 (0.38) NR1H2TBK1NR1H3PARP1
SCHEMBL1752239 0.79 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL3425267 0.79 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL1750986 0.74 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL1750924 0.72 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL3424033 0.71 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL1750913 0.71 NR1H2 (0.41) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK NR1H2 1537/4885TBK1 563/4885NR1H3 1436/4885

“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.