SCHEMBL12106973

SCHEMBL12106973

[C-]#[N+]c1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCC5CCN(C(=O)OC(C)(C)C)CC5)cn4)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 14/20 0.60
▸ NQO2 P16083 1/20 0.60
▸ GPR119 Q8TDV5 4/20 0.44
▸ SLC2A1 P11166 1/20 0.42

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
SCHEMBL2531744 0.90 MET (0.62) METNQO2GPR119SLC2A1
SCHEMBL12858279 0.89 MET (0.47) METNQO2GPR119SLC2A1
SCHEMBL12857964 0.89 MET (0.47) METNQO2GPR119SLC2A1
SCHEMBL3084089 0.88 MET (0.78) METNQO2GPR119
SCHEMBL12106976 0.88 MET (0.76) METNQO2
SCHEMBL13152896 0.84 MET (0.64) METNQO2
SCHEMBL12216835 0.81 MET (0.72) METNQO2
SCHEMBL2489896 0.80 MET (0.61) METNQO2
SCHEMBL13181028 0.80 MET (0.60) METNQO2
SCHEMBL2535395 0.79 MET (0.65) METNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 — — 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
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 — — US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 — — US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 — — US 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-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 — — US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — 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
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — 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 (7 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 2900/4885GPR119 2275/4885
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 2900/4885GPR119 2275/4885
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 562/4885GPR119 1090/4885
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 2900/4885GPR119 2275/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 558/4885GPR119 1238/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 558/4885GPR119 1238/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 541/4885GPR119 1051/4885

“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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