SCHEMBL4464769

SCHEMBL4464769

CC(C)(C)OC(=O)N1CCC(/C(N)=C/C#N)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
EPHX1 P07099 1/20 0.44
STS P08842 6/20 0.44
GPR119 Q8TDV5 2/20 0.43
DPP4 P27487 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10051294 1.00 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4464773 1.00 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14823741 0.84 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15918769 0.84 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15918632 0.84 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL20307636 0.80 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL19092135 0.80 USP2 (0.46) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL13408078 0.80 USP2 (0.46) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL3616096 0.80 USP2 (0.46) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL8247016 0.79 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2801574-B1 ACID ADDUCT SALTS OF SUBSTITUTED PYRIDINE COMPOUND AS CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-07-27 EP disclosed
US-9321747-B2 Acid addition salt of substituted pyridine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-26 US disclosed
US-9187450-B2 Substituted pyridine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 US disclosed
US-20150299169-A1 ACID ADDITION SALT OF SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-2592076-B1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-05-13 EP disclosed
EP-2801574-A1 ACID ADDUCT SALT OF SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-11-12 EP disclosed
US-20140213549-A9 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2014-07-31 US disclosed
US-20140005143-A2 Substituted PyridineCompound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2592076-A1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-15 EP disclosed
US-20130109653-A1 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2013-05-02 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
WO-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060040958-A1 Antiproliferative agents; anticancer agents; antiinflammatroy agents; Alzheimer's disease; viricides; fungicides SCHERING CORPORATION 2006-02-23 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 (7 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-20060040958-A1 Antiproliferative agents; anticancer agents; antiinflammatroy agents; Alzheimer's disease; viricides; fungicides CDK5, CDKN1A, CDK3 HPGD 837/4885RECQL 855/4885PTPN2 1769/4885
US-20140213549-A9 Substituted Pyridine Compound CETP, MTTP, PRCP HPGD 2817/4885RECQL 3017/4885PTPN2 2468/4885
US-20140005143-A2 Substituted PyridineCompound CETP, MTTP, CES1 HPGD 2505/4885RECQL 2698/4885PTPN2 1582/4885
US-20150299169-A1 ACID ADDITION SALT OF SUBSTITUTED PYRIDINE COMPOUND CETP, SLC10A1, MTTP HPGD 1675/4885RECQL 2704/4885PTPN2 2556/4885
US-20130109653-A1 Substituted Pyridine Compound CETP, MTTP, PRCP HPGD 2817/4885RECQL 3017/4885PTPN2 2468/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 HPGD 1380/4885RECQL 843/4885PTPN2 924/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 HPGD 4174/4885RECQL 1591/4885PTPN2 510/4885

“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.