SCHEMBL176792

SCHEMBL176792

CCc1n[nH]c2cc(O)ccc12

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
JAK1 P23458 5/20 0.46
JAK2 O60674 4/20 0.46
TYK2 P29597 4/20 0.46
JAK3 P52333 4/20 0.46
FGFR1 P11362 5/20 0.46
FGFR2 P21802 3/20 0.45
FGFR3 P22607 1/20 0.45
GSK3B P49841 4/20 0.42
PARP1 P09874 2/20 0.41
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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 SCHEMBL177126 0.98 PDPK1 (0.53) PDPK1HSP90AB1ESR1JAK1JAK2
Tert-Butyl Formate SCHEMBL27819466 0.85 PDPK1 (0.41) PDPK1HSP90AB1ESR1JAK1JAK2
SCHEMBL130781 0.80 ITK (0.47) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL10189221 0.80 KIF11 (0.47) FGFR1GSK3BALDH1A1GAAHPGD
SCHEMBL6543491 0.79 HTR2C (0.48) PDPK1HSP90AB1ESR1JAK1JAK2
SCHEMBL2553028 0.79 HTR2C (0.48) PDPK1HSP90AB1ESR1JAK1JAK2
SCHEMBL7587263 0.79 HTR2C (0.48) PDPK1HSP90AB1ESR1JAK1JAK2
SCHEMBL5677771 0.79 MAP2K4 (0.51) GSK3BMAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL16095565 0.79 AXL (0.50) PDPK1JAK2FGFR1FGFR2GSK3B
SCHEMBL5790250 0.79 PDE3B (0.36) PDPK1HSP90AB1JAK1JAK2TYK2

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 18 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
EP-2831061-A1 TRIAZOLE DERIVATIVES AS HSP90 INHIBITORS Synta Pharmaceuticals Corp. (US) 2015-02-04 EP disclosed
WO-2013148857-A1 TRIAZOLE DERIVATIVES AS HSP90 INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-10-03 WO 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
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
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
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.