SCHEMBL915018

SCHEMBL915018

CCOC(=O)N1CCN=C(N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
TSHR P16473 1/20 0.45
NOS1 P29475 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM5 P41594 3/20 0.41
CYP1A2 P05177 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
MEN1 O00255 1/20 0.40

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
Hydrochloric Acid SCHEMBL915017 0.98 GAA (0.44) GAATSHRNOS1KDM4EALDH1A1
SCHEMBL74877 0.75 TSHR (0.57) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL1713222 0.75 TSHR (0.57) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL158497 0.73 TSHR (0.55) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL11072823 0.73 TSHR (0.55) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL1684895 0.72
SCHEMBL10985089 0.72 ALDH1A1 (0.72) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL12994041 0.72 TSHR (0.53) GAATSHRKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL27776511 0.72 TSHR (0.53) GAATSHRKDM4EALDH1A1MAPT
SCHEMBL18422337 0.71 ALDH1A1 (0.39) GAATSHRKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073914-B2 Substituted alkyl pyrimidin-4-one derivatives SANOFI (FR) 2015-07-07 US disclosed
EP-2321315-B1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2015-06-03 EP disclosed
EP-2238141-B1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI SA (FR) 2015-01-14 EP disclosed
US-8507475-B2 Substituted heteroarylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
US-8507476-B2 Substituted arylamide diazepinopyrimidone derivatives SANOFI (FR) 2013-08-13 US disclosed
EP-2238140-B1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2013-07-17 EP disclosed
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2321315-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP disclosed
US-20110039835-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-02-17 US disclosed
US-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-20 US disclosed
EP-2238141-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2238140-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2138494-A1 Substituted alkyl pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed
EP-2090579-A1 Substituted heteroarylamide diazepinopyrimidone derivatives Sanofi-Aventis (FR) 2009-08-19 EP disclosed
EP-2090578-A1 Substituted arylamide diazepinopyrimidone derivatives for the treatment of neurodegenerative diseases caused by abnormal activity of GSK3-beta Sanofi-Aventis (FR) 2009-08-19 EP disclosed
WO-2009095789-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed
WO-2009095792-A2 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 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-20110015187-A1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES WEE1, CBR1, WEE2 GAA 2348/4885TSHR 1475/4885NOS1 1801/4885
US-20110039835-A1 SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES CBR1, QDPR, HRH1 GAA 1790/4885TSHR 802/4885NOS1 1566/4885
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES DPYD, TYMP, DHFR GAA 2226/4885TSHR 780/4885NOS1 3152/4885

“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.