SCHEMBL853351

SCHEMBL853351

Nc1ccc(N2CC[C@@H](O)C2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.42
F10 P00742 2/20 0.41
GAA P10253 3/20 0.40
NOTUM Q6P988 1/20 0.39
PDE7A Q13946 1/20 0.38
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL31481131 1.00 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL854063 0.90 MAPT (0.58) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL29507892 0.90 MAPT (0.58) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL12983104 0.87 MAPT (0.53) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL3251853 0.81 MAPT (0.57) ALDH1A1LMNAMAPTGFERHTT
SCHEMBL27009296 0.81 F10 (0.39) ALDH1A1LMNAMAPTF10GAA
SCHEMBL27009114 0.81 F10 (0.39) ALDH1A1LMNAMAPTF10GAA
SCHEMBL27004866 0.81 ACACB (0.47) ALDH1A1LMNAMAPTF10GAA
SCHEMBL24735594 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL24735237 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102827082-B Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2015-01-07 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
CN-102827082-A Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-12-19 CN disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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 (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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885MAPT 4119/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885MAPT 4119/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885MAPT 4119/4885

“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.