SCHEMBL1296781

SCHEMBL1296781

COC(=O)c1cccc(-c2ncc(OCC3CCN(OC(=O)OC(C)(C)C)CC3)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.41
▸ MET P08581 3/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ CPT2 P23786 1/20 0.39
▸ CPT1A P50416 1/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CDK8 P49336 1/20 0.36

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
SCHEMBL29179298 0.88 MET (0.42) METNQO2CPT2CPT1APDE4D
SCHEMBL2999873 0.87 GPR119 (0.54) GPR119SLC2A1KDM4EHDAC1CHEK2
SCHEMBL15679415 0.83 NR1H4 (0.41) GPR119METNQO2PDE4DADORA2B
SCHEMBL1579908 0.83 PHGDH (0.41) ALDH1A1KMT2ACDK8
SCHEMBL16697161 0.82 MET (0.44) METNQO2CPT2CPT1APDE4D
SCHEMBL2489896 0.79 MET (0.61) METNQO2CHEK2
SCHEMBL22309794 0.78 GPR119 (0.54) GPR119SLC2A1KDM4EHDAC1CHEK2
SCHEMBL1133713 0.76 GUCY1B2 (0.35) GPR119METNQO2PDE4D
SCHEMBL1296715 0.76 MET (0.76) METNQO2
SCHEMBL27775523 0.75 NPC1 (0.42) KMT2ACDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2164844-B1 PYRIMIDINYL PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2012-06-27 — — EP 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
EP-2164844-A1 PYRIMIDINYL 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
WO-2009007074-A1 PYRIMIDINYL 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 GPR119 2275/4885MET 1452/4885NQO2 2900/4885
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 GPR119 2275/4885MET 1452/4885NQO2 2900/4885
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 GPR119 2275/4885MET 1452/4885NQO2 2900/4885

“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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