SCHEMBL192172

SCHEMBL192172

COc1c(C)cnc(C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
HSP90AA1 P07900 6/20 0.33
HSP90AB1 P08238 4/20 0.33
TRAP1 Q12931 2/20 0.33
HSP90B1 P14625 1/20 0.33
MAOA P21397 1/20 0.32
AXL P30530 1/20 0.32
PRKCI P41743 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NNMT P40261 1/20 0.31

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
SCHEMBL12207313 0.83 AGXT (0.38) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL27916481 0.81 ACHE (0.37) HSP90AA1HSP90AB1MAOAALDH1A1
SCHEMBL27916480 0.81 AGXT (0.41) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL16921630 0.79 AGXT (0.46) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL94923 0.77 AGXT (0.53) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL191370 0.76 ALDH1A1 (0.38) AGXTHSP90AA1HSP90AB1ALDH1A1KMT2A
SCHEMBL31922 0.76 AGXT (0.49) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL2629579 0.76 AGXT (0.49) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL26281215 0.76 AGXT (0.43) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL29039529 0.76 AGXT (0.52) 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 36 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-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 (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-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885HSP90AA1 3/4885HSP90AB1 1/4885
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.