SCHEMBL12239830

SCHEMBL12239830

CN(C)CC(C)(C)COc1cnc(-c2cccc(Cn3nc(-c4cccc(N)c4)ccc3=O)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.61
▸ NQO2 P16083 1/20 0.50
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL2532942 0.88 MET (0.76) METNQO2
SCHEMBL12240062 0.82 MET (0.64) METNQO2
SCHEMBL12240064 0.82 MET (0.58) METNQO2
SCHEMBL13285275 0.81 MET (0.59) METNQO2HDAC1
SCHEMBL13180922 0.80 MET (0.64) METNQO2
SCHEMBL13284451 0.79 MET (0.59) METNQO2HDAC1
SCHEMBL13285273 0.79 MET (0.59) METNQO2
SCHEMBL13180936 0.79 MET (0.55) METNQO2
SCHEMBL12239832 0.79 MET (0.55) METNQO2
SCHEMBL13285174 0.79 MET (0.55) METNQO2HDAC1

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-20110257181-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-20 — — 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-20110257181-A1 PYRIDAZINONE DERIVATIVES MET, TYRO3, ERBB2 MET 1/4885NQO2 600/4885HDAC1 1706/4885

“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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