SCHEMBL13089806

SCHEMBL13089806

O=C(CNC(=O)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1)CN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 16/20 0.59
▸ HDAC1 Q13547 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ IRAK1 P51617 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL13089805 0.85 MET (0.57) MET
SCHEMBL3067317 0.82 MET (0.61) METHDAC1GCGRIRAK1IRAK4
SCHEMBL3070654 0.82 MET (0.59) MET
SCHEMBL13089762 0.81 MET (0.56) METHDAC1GCGRIRAK1IRAK4
SCHEMBL3062465 0.79 MET (0.64) METHDAC1IRAK1IRAK4
SCHEMBL1302876 0.79 MET (0.59) METHDAC1GCGRIRAK1IRAK4
SCHEMBL13089799 0.78 MET (0.66) METHDAC1IRAK1IRAK4
SCHEMBL1952612 0.78 MET (0.60) METHDAC1IRAK1IRAK4
SCHEMBL3062334 0.77 MET (0.59) METHDAC1IRAK1IRAK4
SCHEMBL2471211 0.77 MET (0.75) 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 6 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
EP-2049531-B1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-09-24 — — EP 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 (1 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-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885HDAC1 745/4885GCGR 1848/4885

“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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