SCHEMBL1750386

SCHEMBL1750386

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.40
NR1H3 Q13133 3/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL3423349 0.93 NR1H2 (0.40) NR1H2NR1H3KDM4EALDH1A1MAPT
SCHEMBL1750961 0.91 NR1H2 (0.40) NR1H2NR1H3GPR119CA12CA9
SCHEMBL1750963 0.91 NR1H2 (0.40) NR1H2NR1H3GPR119CA12CA9
SCHEMBL1750157 0.88 NR1H2 (0.42) NR1H2NR1H3GPR119CA12CA9
SCHEMBL5562545 0.88 MAPT (0.36) KDM4EALDH1A1MAPT
SCHEMBL3426090 0.88 NR1H2 (0.39) NR1H2NR1H3CA12CA9
SCHEMBL1750913 0.88 NR1H2 (0.41) NR1H2NR1H3USP30
SCHEMBL3425025 0.87 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3423969 0.86 NR1H2 (0.37) NR1H2NR1H3GPR119
SCHEMBL1751863 0.86 NR1H2 (0.50) NR1H2NR1H3CA12CA9

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 1436/4885KDM4E 1525/4885
US-20090130209-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 NR1H2 3166/4885NR1H3 3632/4885KDM4E 1854/4885
US-20070259870-A1 Novel Pyridazinone Derivatives CDK2, CDK1, CDK20 NR1H2 3166/4885NR1H3 3632/4885KDM4E 1854/4885

“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.