SCHEMBL1751633

SCHEMBL1751633

COc1nnc(-c2ccncc2)cc1-c1cc2ccc(CN3CCCCC3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.38
NR1H3 Q13133 3/20 0.37
TBK1 Q9UHD2 4/20 0.36
PARP1 P09874 1/20 0.34
LSS P48449 1/20 0.34
MCHR1 Q99705 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 0.93 NR1H2 (0.38) NR1H2NR1H3TBK1PARP1LSS
SCHEMBL1750986 0.92 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL5567692 0.89 PARP1 (0.36) PARP1LSSMCHR1
SCHEMBL1750924 0.88 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL1750913 0.86 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL1750157 0.83 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL3425025 0.82 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL1750985 0.82 NR1H2 (0.35) NR1H2NR1H3
SCHEMBL3427929 0.82 GSK3B (0.42) NR1H2NR1H3PARP1
SCHEMBL3423969 0.81 NR1H2 (0.37) 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 13 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-7968546-B2 Pyridazinone kinase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-28 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-20090130209-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2009-05-21 US disclosed
US-7507734-B2 Pyridazinone derivatives AVENTIS PHARMA S.A. (FR) 2009-03-24 US disclosed
US-20070259870-A1 Novel Pyridazinone Derivatives AVENTIS PHARMA S.A. (FR) 2007-11-08 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
EP-1751141-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 Aventis Pharma S.A. (FR) 2007-02-14 EP disclosed
EP-1604988-A1 Pyridazinone derivatives, methods for producing them and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 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
WO-2005111019-A1 NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 AVENTIS PHARMA S.A. (FR) 2005-11-24 WO disclosed
EP-1598348-A1 Novel pyridazinone derivatives as inhibitors of CDK2 Aventis Pharma Deutschland GmbH (DE) 2005-11-23 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 (3 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 1537/4885NR1H3 1436/4885TBK1 563/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 NR1H2 3166/4885NR1H3 3632/4885TBK1 1193/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 NR1H2 3166/4885NR1H3 3632/4885TBK1 1193/4885

“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.