SCHEMBL12857947

SCHEMBL12857947

[C-]#[N+]c1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(Br)cn4)n3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL12858128 0.90 MET (0.39) METMEN1KMT2AHDAC1
SCHEMBL12106978 0.84 MET (0.56) METMEN1KMT2A
SCHEMBL12857965 0.83 MET (0.37) MET
SCHEMBL1151835 0.83 MET (0.51) METMEN1KMT2A
SCHEMBL12857942 0.81 MET (0.40) METMEN1KMT2A
SCHEMBL12857962 0.80 MET (0.59) MET
SCHEMBL12857938 0.80 MET (0.41) MET
SCHEMBL12858347 0.76 MEN1 (0.43) METMEN1KMT2A
SCHEMBL12968371 0.75 MET (0.48) METMEN1KMT2A
SCHEMBL12857964 0.75 MET (0.47) METHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034474-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-10 — — 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-20110034474-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, BRAF MET 1/4885MEN1 198/4885KMT2A 948/4885

“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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