SCHEMBL1129657

SCHEMBL1129657

O=c1ccnc(-c2ncccn2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PKM P14618 1/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
BTK Q06187 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PDE2A O00408 5/20 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
SCHEMBL1194066 0.79 BTK (0.58) ALDH1A1NPC1HPGDL3MBTL1MEN1
SCHEMBL1133436 0.78 GAA (0.50) ALDH1A1NPC1TP53HPGDL3MBTL1
SCHEMBL18075675 0.78 GCK (0.33) ALDH1A1NPC1TP53HPGDL3MBTL1
SCHEMBL20595279 0.74 PDE4A (0.46) ALDH1A1TP53MEN1KMT2APDE3B
SCHEMBL7454459 0.74 PDE3B (0.50) ALDH1A1HPGDL3MBTL1PDE3BPDE3A
SCHEMBL27568206 0.74 ALDH1A1 (0.58) ALDH1A1NPC1HPGDL3MBTL1MEN1
SCHEMBL916879 0.73 POLB (0.44) ALDH1A1NPC1TP53HPGDL3MBTL1
SCHEMBL14340862 0.72 HPGD (0.45) ALDH1A1NPC1TP53HPGDSMN1; SMN2
SCHEMBL6294683 0.72 KMT2A (0.58) ALDH1A1HPGDKMT2ABTK
SCHEMBL30060621 0.72 KMT2A (0.58) ALDH1A1HPGDKMT2ABTK

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-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US claimed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP claimed
EP-2033963-A1 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives Sanofi-Aventis (FR) 2009-03-11 EP claimed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP claimed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO claimed
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 CN disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US disclosed
EP-2464632-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP disclosed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
EP-2033963-B1 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2011-02-16 EP disclosed
EP-1603910-B1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2009-08-26 EP disclosed
EP-2033963-A1 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives Sanofi-Aventis (FR) 2009-03-11 EP disclosed
US-7452897-B2 Use of substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2008-11-18 US disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed
EP-1603910-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-14 EP disclosed
WO-2004078759-A1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-16 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 (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-20120220591-A1 PYRIMIDONE COMPOUNDS MAPT, PRNP, PSEN1 ALDH1A1 1701/4885NPC1 1063/4885TP53 1166/4885
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885NPC1 1685/4885TP53 1955/4885
US-20070167455-A1 USE OF SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN2, PSEN1, GSK3A ALDH1A1 322/4885NPC1 343/4885TP53 1930/4885

“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.