SCHEMBL1349196

SCHEMBL1349196

Cc1[nH]c2cc(F)cc(F)c2c(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ PTPN11 Q06124 4/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ DAO P14920 4/20 0.33
▸ GRIN2D O15399 2/20 0.33
▸ GRIN3B O60391 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN2C Q14957 2/20 0.33
▸ GRIN3A Q8TCU5 2/20 0.33
▸ DDO Q99489 1/20 0.33
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL10481523 0.73 KDM4E (0.52) KDM4EGAASLC2A1PARP1DAO
SCHEMBL8873542 0.73 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9796486 0.72 KDM4E (0.45) KDM4EGAADAODDO
SCHEMBL30692124 0.72 ALKBH3 (0.40) SLC2A1PARP1
SCHEMBL1393439 0.72 SLC2A1 (0.52) GPR17KDM4ESLC2A1
SCHEMBL31736881 0.72 SLC2A1 (0.52) GPR17KDM4ESLC2A1
SCHEMBL31736879 0.72 SLC2A1 (0.52) GPR17KDM4ESLC2A1
SCHEMBL1393670 0.72 SLC2A1 (0.39) GPR17KDM4EGAASLC2A1DAO
SCHEMBL10481577 0.70 KDM4E (0.54) KDM4EGAADAO
SCHEMBL8871780 0.70 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 8 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

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 GPR17 3310/4885KDM4E 2011/4885GAA 2762/4885

“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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