SCHEMBL855195

SCHEMBL855195

O=C1CN(c2ccc([N+](=O)[O-])cc2)CCN1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.64
ADRB1 P08588 1/20 0.64
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CRBN Q96SW2 2/20 0.51
LMNA P02545 1/20 0.47
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
GAA P10253 1/20 0.44
AKR1C3 P42330 1/20 0.43

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
SCHEMBL29036910 0.86 ADRB1 (0.49) SIRT6ADRB1MAPTMEN1KMT2A
SCHEMBL5363025 0.85 SIRT6 (0.56) SIRT6ADRB1MAPTMEN1KMT2A
SCHEMBL12302651 0.79 MAPT (0.59) SIRT6ADRB1MAPTPOLB
SCHEMBL31570554 0.79 MAPT (0.71) SIRT6MAPTMEN1KMT2APOLB
SCHEMBL2393818 0.79 MAPT (0.61) SIRT6ADRB1MAPTMEN1KMT2A
SCHEMBL29660541 0.79 MAPT (0.59) SIRT6ADRB1MAPTPOLB
SCHEMBL7526992 0.78 SIRT6 (1.00) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL336262 0.78 SIRT6 (1.00) SIRT6ADRB1MAPTPOLBALDH1A1
SCHEMBL5653509 0.77 ALDH1A1 (0.61) SIRT6ADRB1MAPTKMT2APOLB
SCHEMBL30738811 0.77 ALDH1A1 (0.61) SIRT6ADRB1MAPTKMT2APOLB

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 27 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
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP 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
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
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 WO 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 SIRT6 277/4885ADRB1 59/4885MAPT 4119/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B SIRT6 277/4885ADRB1 59/4885MAPT 4119/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 SIRT6 1114/4885ADRB1 2300/4885MAPT 3466/4885

“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.