SCHEMBL12858113

SCHEMBL12858113

[C-]#[N+]c1cccc(-c2ccc(=O)n(Cc3cc(-c4ncc(OCC5CCN(C)CC5)cn4)cs3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.60
▸ NQO2 P16083 1/20 0.60
▸ CXCR1 P25024 1/20 0.38

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
SCHEMBL1151165 0.89 MET (0.63) METNQO2CXCR1
SCHEMBL12858279 0.88 MET (0.47) METNQO2
SCHEMBL12106976 0.88 MET (0.76) METNQO2
SCHEMBL12760991 0.87 MET (0.78) METNQO2
SCHEMBL12857962 0.85 MET (0.59) METNQO2CXCR1
SCHEMBL12858379 0.81 MET (0.40) METNQO2
SCHEMBL12857942 0.81 MET (0.40) METNQO2
SCHEMBL13152896 0.78 MET (0.64) METNQO2
SCHEMBL12870144 0.77 MET (0.63) METNQO2
SCHEMBL12858282 0.77 MET (0.38) 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 588/4885CXCR1 3968/4885

“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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