SCHEMBL82474

SCHEMBL82474

C[C@@H](NC[C@@H](O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ANPEP P15144 1/20 0.48
AOC3 Q16853 3/20 0.47

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
SCHEMBL2296647 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2295948 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2295951 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL82473 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL2293870 1.00 APAF1 (0.53) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL14943968 0.90 APAF1 (0.62) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10879127 0.90 APAF1 (0.62) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10879125 0.90 APAF1 (0.62) APAF1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL15899286 0.85 KDM4E (0.56) APAF1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3937954 0.85 KDM4E (0.56) APAF1KDM4EL3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-8592417-B2 2-substituted-6-heterocyclic pyrimidone derivatives as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-26 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
EP-2197877-B1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-1, 2, 4-OXADIAZOL-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI SA (FR) 2013-05-15 EP disclosed
EP-2197877-B1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-1, 2, 4-OXADIAZOL-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI SA (FR) 2013-05-15 EP disclosed
EP-2193129-B1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2012-10-24 EP disclosed
EP-2193129-B1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2012-10-24 EP disclosed
US-8288383-B2 3-methyl-2- ( (2S) -2- (4- (3-methyl-L, 2, 4-oxadiazol-5-YL) phenyl) morpholino) -6- (pyrim-idin-4-yl) pyrimidin-4 (3H) -one as tau protein kinase inhibitor SANOFI (FR) 2012-10-16 US disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 US disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 US disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 US disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 US disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2009-05-14 US disclosed
WO-2009035159-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
EP-1789414-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-05-30 EP disclosed
WO-2006028290-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2006-03-16 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 (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-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MAPT, PSEN1, PSEN2 APAF1 4120/4885SLC6A2 753/4885SLC6A4 1634/4885
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, TTBK2 APAF1 3044/4885SLC6A2 2731/4885SLC6A4 3869/4885
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 APAF1 2986/4885SLC6A2 2572/4885SLC6A4 3185/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 APAF1 3130/4885SLC6A2 4107/4885SLC6A4 3721/4885

“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.