SCHEMBL2111929

SCHEMBL2111929

CC(=O)OCc1ncc(C)c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
NOTUM Q6P988 1/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
AGXT P21549 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8195868 0.89 HSP90AA1 (0.39) ALDH1A1L3MBTL1HSD17B10LMNANOTUM
SCHEMBL2112911 0.86 AGXT (0.45) ALDH1A1AGXTPOLBHSP90AA1HSP90AB1
SCHEMBL3393935 0.79 AGXT (0.40) ALDH1A1HSD17B10LMNAELANECYP1A2
SCHEMBL3392712 0.75 CA2 (0.38) ALDH1A1HSD17B10LMNAELANECYP1A2
SCHEMBL3395441 0.75 AGXT (0.37) ALDH1A1L3MBTL1HSD17B10LMNAELANE
SCHEMBL3393653 0.75 AGBL2 (0.39) ALDH1A1HSD17B10LMNAELANEAGBL2
SCHEMBL2110182 0.74 AGXT (0.36) ALDH1A1HSD17B10LMNAELANECYP1A2
SCHEMBL7952261 0.74 AGXT (0.62) ALDH1A1HSD17B10CYP1A2CYP2C19AGXT
SCHEMBL23856652 0.73 GAA (0.35) ALDH1A1L3MBTL1LMNANOTUMCYP1A2
SCHEMBL2111401 0.73 AGXT (0.45) ALDH1A1HSD17B10NOTUMCYP1A2CYP2C19

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 ALDH1A1 1077/4885L3MBTL1 3887/4885HSD17B10 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.