SCHEMBL8312653

SCHEMBL8312653

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
GLS O94925 2/20 0.47
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
FAAH O00519 1/20 0.44
NR1H2 P55055 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 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
Acetic Acid SCHEMBL1773187 0.96 KDM4E (0.48) HPGDKDM4EPKMGLSRECQL
SCHEMBL12602175 0.94 HPGD (0.51) HPGDKDM4EPKMGLSRECQL
SCHEMBL12602171 0.91 NR1H2 (0.44) HPGDKDM4EPKMGLSRECQL
Acetic Acid SCHEMBL1773472 0.91 HPGD (0.48) HPGDKDM4EPKMGLSRECQL
SCHEMBL3220460 0.88 HPGD (0.51) HPGDKDM4EPKMGLSRECQL
Acetic Acid SCHEMBL1774000 0.88 KDM4E (0.44) HPGDKDM4EPKMGLSRECQL
SCHEMBL12602255 0.87 FAAH (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL38662703 0.85 HPGD (0.49) HPGDKDM4EPKMGLSRECQL
SCHEMBL3220450 0.84 HPGD (0.51) HPGDKDM4EPKMGLSRECQL
SCHEMBL12602269 0.84 FAAH (0.55) HPGDKDM4EPKMGPR119FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 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 (2 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-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE EPOR, EGLN2, EGLN1 HPGD 320/4885KDM4E 228/4885PKM 2284/4885
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 HPGD 734/4885KDM4E 377/4885PKM 2507/4885

“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.