SCHEMBL192047

SCHEMBL192047

COc1c(C)cnc(CO)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.49
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
PDE10A Q9Y233 1/20 0.34
HSP90AA1 P07900 6/20 0.33
KMT2A Q03164 4/20 0.33
WDR5 P61964 3/20 0.33
TRAP1 Q12931 2/20 0.33
HSP90AB1 P08238 2/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
SHMT2 P34897 1/20 0.33
DPP4 P27487 1/20 0.33
HSP90B1 P14625 1/20 0.33
BRS3 P32247 2/20 0.33
DDAH1 O94760 2/20 0.33
ENGASE Q8NFI3 2/20 0.33
SARM1 Q6SZW1 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
FTO Q9C0B1 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
SCHEMBL11959167 0.84 AGXT (0.47) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL29382857 0.81 AGXT (0.66) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL1060082 0.81 AGXT (0.66) AGXTPDE10AHSP90AA1KMT2AWDR5
Hydrochloric Acid SCHEMBL3247161 0.79 AGXT (0.64) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL31922 0.78 AGXT (0.49) AGXTPDE10AHSP90AA1TRAP1HSP90AB1
SCHEMBL10440855 0.77 AGXT (0.51) AGXTPDE10AHSP90AA1KMT2AWDR5
SCHEMBL2740251 0.76 AGXT (0.42) AGXTCA2CA4ALDH1A1MAPT
SCHEMBL3393038 0.75 HSP90AA1 (0.40) AGXTHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL191418 0.74 AGXT (0.45) AGXTCA2CA4PDE10AHSP90AA1
Hydrochloric Acid SCHEMBL8063817 0.73 AGXT (0.55) AGXTPDE10AHSP90AA1KMT2AWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
EP-2402349-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-04 EP disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
WO-2010098344-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2010-09-02 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-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885CA2 4209/4885CA4 4249/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885CA2 4209/4885CA4 4249/4885

“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.