SCHEMBL13089762

SCHEMBL13089762

CN1CCN(C(=O)CNC(=O)c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 14/20 0.56
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ GCGR P47871 1/20 0.44
▸ IRAK1 P51617 1/20 0.43

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
SCHEMBL3067317 0.87 MET (0.61) METIRAK4HDAC1GCGRIRAK1
SCHEMBL16199828 0.85 MET (0.53) METIRAK4KDM4EALDH1A1KMT2A
SCHEMBL13089799 0.83 MET (0.66) METIRAK4HDAC1IRAK1
SCHEMBL1952612 0.83 MET (0.60) METIRAK4HDAC1IRAK1
SCHEMBL3062465 0.82 MET (0.64) METIRAK4HDAC1IRAK1
SCHEMBL3062334 0.82 MET (0.59) METIRAK4KMT2AHDAC1IRAK1
SCHEMBL1302876 0.82 MET (0.59) METIRAK4HDAC1GCGRIRAK1
SCHEMBL13089806 0.81 MET (0.59) METIRAK4HDAC1GCGRIRAK1
SCHEMBL1301755 0.80 MET (0.62) METIRAK4KMT2AHDAC1IRAK1
SCHEMBL4130448 0.80 MET (0.69) METALDH1A1KMT2AHDAC1

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 9 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-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 2/4885IRAK4 791/4885KDM4E 1052/4885
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885IRAK4 827/4885KDM4E 1234/4885

“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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