SCHEMBL13089776

SCHEMBL13089776

CN(C)C1CCN(c2nc(-c3cccc(Cn4nc(-c5cc(F)c(F)c(F)c5)ccc4=O)c3)no2)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.56
▸ NQO2 P16083 1/20 0.40

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
SCHEMBL13089838 0.93 MET (0.66) METNQO2
SCHEMBL13089742 0.88 MET (0.60) METNQO2
SCHEMBL14960674 0.88 MET (0.60) MET
SCHEMBL13089767 0.87 MET (0.59) MET
SCHEMBL13089769 0.86 MET (0.59) MET
SCHEMBL13089848 0.86 MET (0.58) METNQO2
SCHEMBL13089768 0.86 MET (0.58) METNQO2
SCHEMBL3068227 0.85 MET (0.57) METNQO2
Hydrochloric Acid SCHEMBL3052768 0.84 MET (0.56) METNQO2
SCHEMBL13089808 0.84 MET (0.56) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221806-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-12-29 — — US disclosed
US-9221806-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-12-29 — — US disclosed
EP-2049531-B1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-09-24 — — EP disclosed
US-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2013-05-23 — — US disclosed
US-8435981-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-05-07 — — US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 — — US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 — — US disclosed
WO-2008017361-A2 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-14 — — 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 (2 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-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES RET, MET, ERBB2 MET 2/4885NQO2 620/4885
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 742/4885

“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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