SCHEMBL2110182

SCHEMBL2110182

CCc1c(C)cnc(COC(C)=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ELANE P08246 1/20 0.32
CA2 P00918 1/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
STAT1 P42224 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL3393935 0.83 AGXT (0.40) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL9784656 0.80 AGXT (0.45) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL3392712 0.79 CA2 (0.38) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL8195868 0.79 HSP90AA1 (0.39) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL3395441 0.79 AGXT (0.37) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL3799771 0.79 MEN1 (0.36) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL7952261 0.78 AGXT (0.62) AGXTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3395997 0.77 HSP90AA1 (0.39) AGXTALDH1A1HSD17B10LMNAMEN1
SCHEMBL19987432 0.75 NOS3 (0.36) AGXT
SCHEMBL6950031 0.75 HSP90AA1 (0.41) AGXTALDH1A1LMNAMEN1KMT2A

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 2969/4885ALDH1A1 1077/4885HSD17B10 1721/4885

“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.