SCHEMBL2845481

SCHEMBL2845481

Cc1cnc(Cl)nc1OC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 5/20 0.38
FABP2 P12104 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
PIN1 Q13526 4/20 0.36
MAP4K4 O95819 3/20 0.36
PDE5A O76074 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PPARD Q03181 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2843666 0.82 PPARA (0.50) PPARACYP1A2CYP3A4MAPTPPARG
SCHEMBL31286793 0.75 PPARA (0.58) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL13478927 0.75 STK17B (0.34) PPARACYP1A2CYP3A4MAPTKDM4E
SCHEMBL1996295 0.70 ALDH1A1 (0.44) MEN1CYP1A2KMT2APIN1KDM4E
SCHEMBL22089708 0.70 KMT2A (0.45) MEN1MAPTKMT2APIN1KDM4E
SCHEMBL16480578 0.70 PPARA (0.41) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL29041274 0.69 PIN1 (0.60) MEN1CYP1A2CYP2C19KMT2APIN1
SCHEMBL16232437 0.69 MAPT (0.45) MAPTPIN1PDE5AFFAR1NUDT1
SCHEMBL20733627 0.69 RPS6KA5 (0.36) PIN1KDM4EALDH1A1FFAR1NUDT1
SCHEMBL3372602 0.68 PPARA (0.53) PPARAMEN1CYP1A2CYP3A4CYP2D6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 EP disclosed
US-8592435-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-26 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 US disclosed
EP-2151439-A1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-02-10 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 (4 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF PPARA 2857/4885MEN1 4143/4885CYP1A2 3394/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 PPARA 2972/4885MEN1 4279/4885CYP1A2 3980/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 PPARA 2972/4885MEN1 4279/4885CYP1A2 3980/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 PPARA 2972/4885MEN1 4279/4885CYP1A2 3980/4885

“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.