SCHEMBL13089799

SCHEMBL13089799

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

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.66
▸ IRAK4 Q9NWZ3 4/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ IRAK1 P51617 2/20 0.49

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
SCHEMBL3062465 0.90 MET (0.64) METIRAK4HDAC1IRAK1
SCHEMBL4130448 0.88 MET (0.69) METHDAC1
SCHEMBL3067317 0.88 MET (0.61) METIRAK4HDAC1IRAK1
SCHEMBL1950688 0.87 MET (0.71) METIRAK4
SCHEMBL1952612 0.87 MET (0.60) METIRAK4HDAC1IRAK1
SCHEMBL1302552 0.87 MET (0.64) METHDAC1
SCHEMBL3062334 0.86 MET (0.59) METIRAK4HDAC1IRAK1
SCHEMBL1302876 0.86 MET (0.59) METIRAK4HDAC1IRAK1
SCHEMBL1301755 0.85 MET (0.62) METIRAK4HDAC1IRAK1
SCHEMBL13089762 0.83 MET (0.56) METIRAK4HDAC1IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885IRAK4 827/4885HDAC1 745/4885

“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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