SCHEMBL31992

SCHEMBL31992

COc1c(CO)cnc(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GFER P55789 1/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.40
PDXK O00764 2/20 0.40
MEN1 O00255 1/20 0.40
AOX1 Q06278 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.36
HSP90AB1 P08238 2/20 0.35
GAA P10253 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL191370 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL30649291 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL12362198 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL3392208 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL7608150 0.76 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL192172 0.75 AGXT (0.42) ALDH1A1KMT2AHSP90AB1HSP90AA1
SCHEMBL27916481 0.73 ACHE (0.37) KDM4EALDH1A1HSD17B10GFERLMNA
SCHEMBL3796805 0.72 AGXT (0.41) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL11449654 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GFER
SCHEMBL14469765 0.72 LMNA (0.63) KDM4EALDH1A1HPGDHSD17B10GFER

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402349-B1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2016-04-06 EP disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-18 US disclosed
EP-2810945-A1 Dihydrochloride salt of a tricyclic pyrazolopyrimidine derivative Daiichi Sankyo Company, Limited (JP) 2014-12-10 EP disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8846703-B2 Crystal of a free tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-09-30 US disclosed
US-8815880-B2 Crystal of tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-26 US disclosed
US-8815880-B2 Crystal of tricyclic pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-26 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
WO-2012026433-A1 FREE CRYSTAL OF TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-03-01 WO disclosed
WO-2012026434-A1 CRYSTAL OF TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-03-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM4E 3698/4885ALDH1A1 725/4885HPGD 1053/4885
US-20140371249-A1 CRYSTAL OF A FREE TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB2P, HSP90B1, HSP90AA1 KDM4E 1799/4885ALDH1A1 1569/4885HPGD 2107/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3698/4885ALDH1A1 725/4885HPGD 1053/4885

“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.