SCHEMBL191985

SCHEMBL191985

COc1c(F)cnc(CO)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.45
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
FTO Q9C0B1 1/20 0.34
DPP4 P27487 1/20 0.33
PDE10A Q9Y233 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.31
HSP90AA1 P07900 4/20 0.31
TRAP1 Q12931 2/20 0.31
HSP90AB1 P08238 2/20 0.31
SHMT2 P34897 1/20 0.31
WDR5 P61964 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90B1 P14625 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
BRS3 P32247 1/20 0.30
DDAH1 O94760 1/20 0.30
SARM1 Q6SZW1 1/20 0.30
IDO2 Q6ZQW0 1/20 0.30

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
SCHEMBL11959166 0.84 AGXT (0.44) AGXTATP4AATP4BFTOPDE10A
Hydrochloric Acid SCHEMBL191090 0.82 AGXT (0.42) AGXTATP4AATP4BFTOPDE10A
SCHEMBL1060082 0.81 AGXT (0.66) AGXTATP4AATP4BFTOPDE10A
SCHEMBL29382857 0.81 AGXT (0.66) AGXTATP4AATP4BFTOPDE10A
SCHEMBL9688517 0.79 AGXT (0.46) AGXTATP4AATP4BDPP4
Hydrochloric Acid SCHEMBL3247161 0.79 AGXT (0.64) AGXTATP4AATP4BFTOPDE10A
SCHEMBL191418 0.78 AGXT (0.45) AGXTATP4AATP4BDPP4PDE10A
SCHEMBL3797863 0.76 AGXT (0.44) AGXTATP4AATP4BDPP4PDE10A
SCHEMBL3802246 0.76 AGXT (0.44) AGXTDPP4HSP90AA1TRAP1SHMT2
SCHEMBL9456093 0.76 DAO (0.32) AGBL2

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 3394/4885ATP4A 1070/4885ATP4B 1672/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 AGXT 3394/4885ATP4A 1070/4885ATP4B 1672/4885

“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.