SCHEMBL31922

SCHEMBL31922

COc1c(C)cnc(CO)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.49
HSP90AA1 P07900 14/20 0.39
HSP90AB1 P08238 7/20 0.39
TRAP1 Q12931 2/20 0.39
HSP90B1 P14625 1/20 0.39
PDE10A Q9Y233 1/20 0.34
CYP2C9 P11712 1/20 0.34
FTO Q9C0B1 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL2629579 0.85 AGXT (0.49) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
Hydrochloric Acid SCHEMBL191225 0.84 AGXT (0.47) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL29382857 0.81 AGXT (0.66) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1060082 0.81 AGXT (0.66) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL2112911 0.80 AGXT (0.45) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL9455850 0.80 AXL (0.36) AGXTHSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL3247161 0.79 AGXT (0.64) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL192047 0.78 AGXT (0.49) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL10440855 0.77 AGXT (0.51) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL192172 0.76 AGXT (0.42) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1

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 38 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
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
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
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-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-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
WO-2012026433-A1 FREE CRYSTAL OF TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-03-01 WO disclosed
WO-2012026434-A1 CRYSTAL OF TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-03-01 WO 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-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB2P, HSP90B1, HSP90AA1 AGXT 2787/4885HSP90AA1 3/4885HSP90AB1 4/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885HSP90AA1 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.