SCHEMBL12857964

SCHEMBL12857964

[C-]#[N+]c1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCC5CCN(C(=O)OC(C)(C)C)CC5)cn4)n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.47
▸ NQO2 P16083 1/20 0.47
▸ GPR119 Q8TDV5 6/20 0.43
▸ SLC2A1 P11166 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ PDE4D Q08499 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35

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
SCHEMBL12106973 0.89 MET (0.60) METNQO2GPR119SLC2A1
SCHEMBL12870216 0.89 MET (0.61) METNQO2GPR119SLC2A1CHEK2
SCHEMBL12857962 0.88 MET (0.59) METNQO2
SCHEMBL12858279 0.87 MET (0.47) METNQO2GPR119SLC2A1CHEK2
SCHEMBL2531744 0.79 MET (0.62) METNQO2GPR119SLC2A1CHEK2
SCHEMBL1151066 0.78 MET (0.62) METNQO2
SCHEMBL3084089 0.78 MET (0.78) METNQO2GPR119
SCHEMBL12858128 0.77 MET (0.39) METHDAC1
SCHEMBL12106976 0.77 MET (0.76) METNQO2
SCHEMBL12760969 0.76 MET (0.78) METNQO2

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 1/4885NQO2 588/4885GPR119 1926/4885

“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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