SCHEMBL192045

SCHEMBL192045

COc1c(C)c[n+]([O-])c(C)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4546154 0.79 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL2111283 0.76 HDAC8 (0.30)
SCHEMBL192671 0.76 CA2 (0.33)
SCHEMBL2111129 0.72
SCHEMBL714637 0.70
SCHEMBL11116745 0.69 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL7951653 0.69 ACHE (0.33)
SCHEMBL311495 0.68 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL8830029 0.68 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL8346428 0.66 AR (0.30)

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402349-B1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2016-04-06 EP disclosed
EP-2402349-B1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2016-04-06 EP disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
EP-2810945-A1 Dihydrochloride salt of a tricyclic pyrazolopyrimidine derivative Daiichi Sankyo Company, Limited (JP) 2014-12-10 EP disclosed
EP-2810945-A1 Dihydrochloride salt of a tricyclic pyrazolopyrimidine derivative Daiichi Sankyo Company, Limited (JP) 2014-12-10 EP disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8815880-B2 Crystal of tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-26 US disclosed
US-8815880-B2 Crystal of tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-26 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2402349-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-04 EP disclosed
EP-2065388-B1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2011-09-07 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 EP 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 (3 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB2P, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 4/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885

“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.