SCHEMBL2111401

SCHEMBL2111401

COc1c(Cl)cnc(COC(C)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.45
HSP90AA1 P07900 4/20 0.34
TRAP1 Q12931 2/20 0.34
HSP90AB1 P08238 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90B1 P14625 1/20 0.34
ALDH1A1 P00352 6/20 0.34
IMPDH2 P12268 2/20 0.34
NOTUM Q6P988 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7952261 0.86 AGXT (0.62) AGXTHSP90AA1TRAP1HSP90AB1MEN1
SCHEMBL9688618 0.85 AGXT (0.45) AGXTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3799664 0.84 AGXT (0.44) AGXTMEN1KMT2AALDH1A1IMPDH2
SCHEMBL2112911 0.82 AGXT (0.45) AGXTHSP90AA1TRAP1HSP90AB1POLB
SCHEMBL3796812 0.81 AGXT (0.42) AGXTPOLBALDH1A1KDM4EHSD17B10
SCHEMBL8195868 0.78 HSP90AA1 (0.39) AGXTHSP90AA1HSP90AB1MEN1CYP1A2
SCHEMBL6876891 0.77 ALDH1A1 (0.51) CYP2C9CYP2C19ALDH1A1MAPK1NPC1
SCHEMBL3392818 0.77 AGXT (0.37) AGXTALDH1A1KDM4EDPP4
SCHEMBL6275773 0.76 ALDH1A1 (0.39) CYP1A2CYP2C19KMT2AALDH1A1NOTUM
SCHEMBL9784656 0.76 AGXT (0.45) AGXTHSP90AA1HSP90AB1MEN1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2065388-B1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2011-09-07 EP 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
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 (1 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 AGXT 2969/4885HSP90AA1 3/4885TRAP1 5/4885

“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.