SCHEMBL4122285

SCHEMBL4122285

CC(C)(C)OC(=O)Oc1cccc(-c2ccc(=O)n(Cc3cccc(N)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.49
▸ MET P08581 7/20 0.45
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ IRAK1 P51617 1/20 0.42

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
SCHEMBL4134359 0.85 MAPT (0.64) HDAC1METMAPTSMN1; SMN2MEN1
SCHEMBL4134356 0.83 MET (0.51) HDAC1METMAPTIRAK1
SCHEMBL2465886 0.78 MET (0.55) HDAC1METMAPTSMN1; SMN2MEN1
SCHEMBL14494768 0.77 MET (0.50) HDAC1METMAPTSMN1; SMN2MEN1
SCHEMBL3840345 0.77 POLB (0.57) HDAC1METMAPTSMN1; SMN2MEN1
SCHEMBL12240235 0.75 MET (0.53) HDAC1MET
SCHEMBL2470246 0.75 HDAC1 (0.59) HDAC1METMAPTSMN1; SMN2MEN1
SCHEMBL13285174 0.75 MET (0.55) HDAC1MET
SCHEMBL6191776 0.73 ELANE (0.51) MAPTSMN1; SMN2MEN1KMT2APDE4A
SCHEMBL2466747 0.72 MET (0.58) METMEN1KMT2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 — — WO 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-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 HDAC1 2297/4885MET 1/4885MAPT 3648/4885

“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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