SCHEMBL176805

SCHEMBL176805

Oc1ccc2c(C(F)(F)F)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
HSP90AB1 P08238 1/20 0.54
ESR1 P03372 1/20 0.51
MAP2K4 P45985 4/20 0.45
MAPK1 P28482 3/20 0.45
MAPK6 Q16659 3/20 0.45
MAPKAPK2 P49137 2/20 0.45
MAPKAPK3 Q16644 2/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 1/20 0.45
MAPKAPK5 Q8IW41 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
TRPA1 O75762 2/20 0.38
ITK Q08881 1/20 0.36
DYRK1A Q13627 1/20 0.36
GSK3B P49841 1/20 0.36
GRM4 Q14833 2/20 0.36
MEN1 O00255 1/20 0.35

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
Tert-Butyl Formate SCHEMBL27819460 0.85 PDPK1 (0.41) PDPK1HSP90AB1ESR1MAP2K4MAPK1
SCHEMBL29627518 0.79 PDPK1 (0.58) PDPK1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL2671320 0.79 PDPK1 (0.58) PDPK1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL17512314 0.79 KIF11 (0.49) PDPK1FGFR1FGFR2TRPA1GSK3B
SCHEMBL12090350 0.79 ITK (0.46) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL2671163 0.77 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL4403664 0.76 MAP2K4 (0.46) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL12348055 0.75 DYRK1A (0.55) MAP2K4TRPA1ITKDYRK1AGSK3B
SCHEMBL27819459 0.74 GABRA1 (0.43) GSK3BMEN1KMT2A
SCHEMBL4153421 0.73 MAP2K4 (0.44) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171192-A Indazole compounds ASAHI KASEI PHARMA CORP 2011-08-31 CN claimed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP claimed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US claimed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
CN-102171192-A Indazole compounds ASAHI KASEI PHARMA CORP 2011-08-31 CN disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
WO-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
WO-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 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 (2 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 PDPK1 1131/4885HSP90AB1 793/4885ESR1 1355/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A PDPK1 1068/4885HSP90AB1 777/4885ESR1 993/4885

“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.