SCHEMBL12106978

SCHEMBL12106978

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.56
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NQO2 P16083 1/20 0.47

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
SCHEMBL12106975 0.90 MET (0.56) METNQO2
SCHEMBL12857942 0.85 MET (0.40) METMEN1KMT2ANQO2
SCHEMBL13285273 0.85 MET (0.59) METMEN1KMT2ANQO2
SCHEMBL12857947 0.84 MET (0.39) METMEN1KMT2A
SCHEMBL13152862 0.83 MET (0.60) METMEN1KMT2ANQO2
SCHEMBL12106977 0.83 MET (0.51) METNQO2
SCHEMBL3101784 0.82 MET (0.81) METMEN1KMT2A
SCHEMBL13152888 0.82 MET (0.79) METNQO2
SCHEMBL1296283 0.82 MET (0.69) METMEN1KMT2ANQO2
SCHEMBL29550006 0.82 MET (0.69) METMEN1KMT2ANQO2

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 1452/4885MEN1 4084/4885KMT2A 1882/4885
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 1452/4885MEN1 4084/4885KMT2A 1882/4885
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885MEN1 164/4885KMT2A 904/4885
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 1452/4885MEN1 4084/4885KMT2A 1882/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885MEN1 173/4885KMT2A 1033/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885MEN1 173/4885KMT2A 1033/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885MEN1 221/4885KMT2A 1065/4885

“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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