SCHEMBL192630

SCHEMBL192630

COc1c(F)cnc(CO[Si](C)(C)C(C)(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.47
ATP4A P20648 1/20 0.31
ATP4B P51164 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
SCHEMBL192582 0.83 AGXT (0.47) AGXT
SCHEMBL191985 0.75 AGXT (0.45) AGXTATP4AATP4B
SCHEMBL11959166 0.73 AGXT (0.44) AGXTATP4AATP4B
SCHEMBL21311731 0.73 MAPKAPK5 (0.34)
SCHEMBL18393568 0.72 CYP19A1 (0.30)
Hydrochloric Acid SCHEMBL191090 0.72 AGXT (0.42) AGXTATP4AATP4B
SCHEMBL25815965 0.71 ALDH1A1 (0.34)
SCHEMBL25815755 0.69
SCHEMBL24667672 0.68 CSNK1A1 (0.34)
SCHEMBL30716905 0.68 CSNK1A1 (0.34)

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 10 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-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

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.