SCHEMBL176726

SCHEMBL176726

CC(C)c1n[nH]c2cc(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.54
HSP90AB1 P08238 2/20 0.54
ESR1 P03372 1/20 0.51
FGFR1 P11362 4/20 0.45
FGFR2 P21802 2/20 0.45
FGFR3 P22607 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
JAK1 P23458 4/20 0.39
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38

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
Hydrochloric Acid SCHEMBL177233 0.98 PDPK1 (0.53) PDPK1HSP90AB1ESR1FGFR1FGFR2
SCHEMBL7136525 0.86 MAPK1 (0.45) PDPK1HSP90AB1ESR1FGFR1FGFR2
SCHEMBL12090196 0.80 ITK (0.47) PDPK1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL18806213 0.80 KIF11 (0.47) PDPK1HSP90AB1JAK2MAP2K4GSK3B
SCHEMBL13915052 0.79 MAP2K4 (0.51) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL11886213 0.79 PDPK1 (0.58) PDPK1ALDH1A1JAK2ITKGSK3B
SCHEMBL16675892 0.79 GSK3B (0.44) ALDH1A1HPGDMAP2K4GSK3BCHEK1
SCHEMBL24991934 0.76 KIF11 (0.44) PDPK1FGFR1ALDH1A1HPGDGAA
SCHEMBL17229793 0.76 ITK (0.49) ITKGSK3BCHEK1
SCHEMBL13826611 0.76 PDPK1 (0.34) PDPK1HSP90AB1JAK2AURKATGFBR1

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 15 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
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US 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
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US 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.