SCHEMBL12858347

SCHEMBL12858347

[C-]#[N+]c1cccc(-c2ccc(=O)n(Cc3cc(Br)cs3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MET P08581 8/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 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
SCHEMBL12857942 0.88 MET (0.40) MEN1KMT2AMET
SCHEMBL12858379 0.82 MET (0.40) MEN1KMT2AMET
SCHEMBL12858345 0.81 MET (0.36) MEN1KMT2AMETTP53PDE4A
SCHEMBL1151846 0.80 MET (0.47) MEN1KMT2AMET
SCHEMBL12106978 0.77 MET (0.56) MEN1KMT2AMET
SCHEMBL12857947 0.76 MET (0.39) MEN1KMT2AMET
SCHEMBL12858113 0.73 MET (0.60) MET
SCHEMBL12858121 0.73 MET (0.41) MET
SCHEMBL12106975 0.71 MET (0.56) METPDE4APDE4BPDE4CPDE4D
SCHEMBL1151699 0.70 MET (0.52) 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 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 MEN1 198/4885KMT2A 948/4885MET 1/4885

“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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