SCHEMBL3325823

SCHEMBL3325823

O=c1cc(-c2ncccn2)nc2n1CCN2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PARP1 P09874 8/20 0.42
POLB P06746 1/20 0.38
MAPK10 P53779 1/20 0.38
TGFBR1 P36897 2/20 0.36
ALOX5 P09917 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
P2RX7 Q99572 1/20 0.33

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
SCHEMBL2931108 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL3041953 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL6493490 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3568709 0.69 GSK3B (0.48) KDM4EALDH1A1POLB
SCHEMBL3701968 0.67 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL4487254 0.65 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL20304594 0.65 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10824587 0.64 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL4587227 0.62 KDM5B (0.35) KDM4EALDH1A1HPGDKDM5B
SCHEMBL9955876 0.62 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP disclosed
JP-2010189422-A PHARMACEUTICAL COMPOSITION CONTAINING 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 DERIVATIVE SANOFI-AVENTIS 2010-09-02 JP disclosed
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-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-1348708-A1 Heteroaryl 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) 2003-10-01 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

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 KDM4E 2488/4885ALDH1A1 1388/4885HPGD 2478/4885
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 KDM4E 2683/4885ALDH1A1 1916/4885HPGD 2640/4885

“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.