SCHEMBL1296715

SCHEMBL1296715

CC(C)(C)OC(=O)ON1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.76
▸ NQO2 P16083 1/20 0.76
▸ CHRM4 P08173 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
SCHEMBL2489896 0.90 MET (0.61) METNQO2
SCHEMBL3084089 0.90 MET (0.78) METNQO2
SCHEMBL2480686 0.90 MET (0.80) METNQO2CHRM4
SCHEMBL30905893 0.89 MET (0.76) METNQO2CHRM4
SCHEMBL30905906 0.88 MET (0.76) METNQO2CHRM4
SCHEMBL15104634 0.87 MET (0.84) METNQO2
SCHEMBL30905826 0.87 MET (0.74) METNQO2CHRM4
Tepotinib SCHEMBL29379106 0.86 MET (1.00) METNQO2
Tepotinib SCHEMBL1296895 0.86 MET (1.00) METNQO2
SCHEMBL30905900 0.86 MET (0.73) METNQO2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP claimed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP claimed
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP disclosed
US-9308205-B2 Polymorphic forms of 3-(1-{3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyrdazin-3-yl)-benzonitrile hydrochloride salt and processes of manufacturing thereof MERCK PATENT GMBH (DE) 2016-04-12 — — US disclosed
US-9289427-B2 Polymorphic forms of 3-(1-{3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-hydrochloride salt and processes of manufacturing thereof MERCK PATENT GMBH (DE) 2016-03-22 — — US disclosed
US-20150148351-A1 NOVEL POLYMORPHIC FORMS OF 3-(1--6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2015-05-28 — — US disclosed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP disclosed
EP-2373640-B1 NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2014-07-30 — — EP disclosed
US-20140200221-A1 NOVEL POLYMORPHIC FORMS OF 3-(1--6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2014-07-17 — — US disclosed
US-8710058-B2 Polymorphic forms of 3-(1-{3-[5-(1-methyl-piperidin-4-ylmethoxy)-pyrimidin-2-yl]-benzyl}-6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile hydrochloride salt and processes of manufacturing thereof MERCK PATENT GMBH (DE) 2014-04-29 — — US disclosed
US-20110269767-A1 Novel Polymorphic Forms of 3-(1--6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile Hydrochloride Salt and Processes of Manufacturing Thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
EP-2373640-A1 NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF Merck Patent GmbH (DE) 2011-10-12 — — EP disclosed
WO-2010078897-A1 NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2010-07-15 — — WO disclosed
EP-2164843-A1 PYRIDAZINONE DERIVATES Merck Patent GmbH (DE) 2010-03-24 — — EP disclosed
WO-2009006959-A1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2009-01-15 — — 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 (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-20140200221-A1 NOVEL POLYMORPHIC FORMS OF 3-(1--6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF BRCA1, MAPK4, MAPK1 MET 1452/4885NQO2 2900/4885CHRM4 2300/4885
US-20110269767-A1 Novel Polymorphic Forms of 3-(1--6-oxo-1,6-dihydro-pyridazin-3-yl)-benzonitrile Hydrochloride Salt and Processes of Manufacturing Thereof BRCA1, MAPK4, MAPK1 MET 1452/4885NQO2 2900/4885CHRM4 2300/4885
US-20150148351-A1 NOVEL POLYMORPHIC FORMS OF 3-(1--6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF BRCA1, MAPK4, MAPK1 MET 1452/4885NQO2 2900/4885CHRM4 2300/4885

“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.

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