SCHEMBL1349005

SCHEMBL1349005

O=C(O)c1cn(C2CC2)c2c(F)cc(F)c(F)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.58
TOP2B Q02880 9/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GSK3B P49841 6/20 0.53
POLB P06746 2/20 0.51
CACNA1F O60840 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
ALDH1A1 P00352 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL9149448 0.89 TOP2A (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL4716155 0.87 GSK3B (0.59) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL1344780 0.85 MEN1 (0.68) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9728366 0.83 GSK3B (0.58) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9151682 0.83 TOP2A (0.55) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9152025 0.83 TOP2A (0.55) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL9145544 0.83 TOP2A (0.61) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL1346839 0.82 ADRB2 (0.55) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL8785054 0.81 TOP2A (0.53) TOP2ATOP2BMEN1KMT2AGSK3B
SCHEMBL500719 0.81 TOP2A (0.71) TOP2ATOP2BGSK3BPOLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
US-8063066-B2 MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-22 US disclosed
EP-2150544-A2 MAPK/ERK KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed
US-20090118324-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-05-07 US disclosed
US-20090118324-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-05-07 US disclosed
US-20090118324-A1 MAPK/ERK KINASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-05-07 US disclosed
WO-2008115890-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 WO disclosed
WO-2008115890-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 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-20090118324-A1 MAPK/ERK KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 TOP2A 3827/4885TOP2B 3622/4885MEN1 1220/4885

“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.