SCHEMBL3567261

SCHEMBL3567261

CCOC(=O)C(C)C(=O)c1ccncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
FAAH O00519 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
NAMPT P43490 2/20 0.38
NLRP3 Q96P20 2/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM4 Q14833 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1379508 0.84 P2RX7 (0.44) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL3401108 0.84 P2RX7 (0.44) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL11531412 0.84 P2RX7 (0.44) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL27196361 0.80 GSK3B (0.51) CTNNB1WNT3AKMT2AMEN1SMN1; SMN2
SCHEMBL917137 0.79 CYP1A2 (0.53) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL29508230 0.79 CYP1A2 (0.53) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL5160899 0.79 P2RX7 (0.47) P2RX7FAAHCTNNB1WNT3ABRD4
SCHEMBL4865510 0.78 KMT2A (0.46) NAMPTKMT2AMEN1SMN1; SMN2CDC7
SCHEMBL13827559 0.78 P2RX7 (0.50) P2RX7FAAHCTNNB1WNT3ABRD4
Hydrochloric Acid SCHEMBL27922723 0.78 CYP1A2 (0.51) P2RX7FAAHCTNNB1WNT3ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781440-B2 Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-7388005-B2 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo [1,2-a]pyrimidin-5(1H)one derivatives for neurodegenerative disorders SANOFI-AVENTIS (FR) 2008-06-17 US disclosed
CN-100391959-C Pyrimidin-5- (1H) -one derivatives SANOFI AVENTIS (FR) 2008-06-04 CN disclosed
CN-1827619-A Pyrimidin-5- (1H) -one derivatives SANOFI AVENTIS (FR) 2006-09-06 CN disclosed
CN-1247586-C Substituted 2-pyrimidinyl-6, 7,8, 9-tetrahydropyrimido [1, 2-A ] pyrimidin-4-one and 7-pyrimidinyl-2, 3-dihydroimidazo [1, 2-A ] pyrimidin-5 (1H) one derivatives for the treatment of neurodegenerative diseases SANOFI AVENTIS SYNTHELABO (FR) 2006-03-29 CN disclosed
EP-1430056-B1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI AVENTIS (FR) 2005-10-26 EP disclosed
US-20040266793-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders SANOFI (FR) 2004-12-30 US disclosed
CN-1556810-A Substituted 2-pyrimidinyl-6, 7,8, 9-tetrahydropyrimido [1, 2-A ] pyrimidin-4-one and 7-pyrimidinyl-2, 3-dihydroimidazo [1, 2-A ] pyrimidin-5 (1H) one derivatives for the treatment of neurodegenerative diseases ����ɳŵ��-����������˾ 2004-12-22 CN disclosed
EP-1430056-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS Sanofi-Aventis (FR) 2004-06-23 EP disclosed
EP-1340760-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
WO-2003027115-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI-SYNTHELABO (FR) 2003-04-03 WO disclosed
EP-1295884-A1 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 7-Pyrimidinyl-2,3-Dihydroimidazo[1,2-a]Pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-03-26 EP disclosed
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 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 (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-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives CDK5, PSEN2, PSEN1 P2RX7 607/4885FAAH 4774/4885CTNNB1 150/4885
US-20040266793-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders CDK5, GSK3A, GSK3B P2RX7 3461/4885FAAH 4062/4885CTNNB1 104/4885

“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.