SCHEMBL4124593

SCHEMBL4124593

COc1ccc(-c2ccc(=O)n(Cc3cccc(NC(C)=O)c3)n2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.69
▸ PDE4B Q07343 5/20 0.69
▸ PDE4C Q08493 5/20 0.69
▸ PDE4D Q08499 5/20 0.69
▸ PKM P14618 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ MET P08581 4/20 0.61
▸ FYN P06241 1/20 0.57
▸ CHEK1 O14757 1/20 0.56
▸ NEK2 P51955 1/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ TYRO3 Q06418 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL14494630 0.92 MET (0.58) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL15815401 0.90 CHEK1 (0.70) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL2493573 0.85 MET (0.61) PKMUSP2ALOX15ATMMET
SCHEMBL4125734 0.84 MET (0.68) MET
SCHEMBL2466162 0.84 MET (0.60) PKMUSP2ALOX15ATMMET
SCHEMBL2468122 0.82 MET (0.81) MET
SCHEMBL2465886 0.79 MET (0.55) METMAPTSMN1; SMN2
SCHEMBL23297323 0.79 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL15815239 0.79 CHEK1 (0.61) PDE4APDE4BPDE4CPDE4DPKM
SCHEMBL13653057 0.77 PDE4D (0.60) PDE4APDE4BPDE4CPDE4DPKM

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 PDE4A 3041/4885PDE4B 3620/4885PDE4C 3849/4885

“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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