SCHEMBL4865510

SCHEMBL4865510

CCOC(=O)C(C)C(=O)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 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
SCHEMBL16883572 0.85 KMT2A (0.43) KMT2ANPSR1CYP1A2CYP3A4MAPT
SCHEMBL2198776 0.83 KMT2A (0.44) KMT2ANPSR1CYP1A2CYP3A4MAPT
SCHEMBL5866532 0.82 KMT2A (0.57) KMT2AMAPTALDH1A1POLBHTT
SCHEMBL28119887 0.82 LMNA (0.47) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL11530768 0.82 HCAR2 (0.44) KMT2ACYP1A2MAPTKDM4EALDH1A1
SCHEMBL1881302 0.81 KMT2A (0.45) KMT2ANPSR1CYP1A2CYP3A4MAPT
SCHEMBL1380026 0.81 KMT2A (0.45) KMT2ANPSR1CYP1A2CYP3A4MAPT
SCHEMBL12672193 0.81 KMT2A (0.45) KMT2ANPSR1CYP1A2CYP3A4MAPT
SCHEMBL18073966 0.81 L3MBTL1 (0.51) KMT2AMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27598315 0.81 CYP1A2 (0.45) KMT2ANPSR1CYP1A2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462621-B2 Use of substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
CN-100398541-C Pyrimidone derivatives and 3-ketoesters SANOFI AVENTIS (FR) 2008-07-02 CN disclosed
US-20070167461-A1 USE OF SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a] PYRIMIDIN-5(1H)ONE DERIVATIVES AS THERAPEUTIC AGENTS SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-7214682-B2 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
CN-1817884-A Pyrimidone derivatives and 3-ketoesters SANOFI AVENTIS (FR) 2006-08-16 CN disclosed
EP-1674456-A2 Substituted alpha-halo-beta-keto-pyridinylpropanoates Sanofi-Aventis (FR) 2006-06-28 EP disclosed
CN-1247585-C Substituted 2-pyridyl-6, 7,8, 9-tetrahydropyrimido [1, 2-a ] pyrimidin-4-one and 7-pyridyl-2, 3-dihydroimidazo [1, 2-a ] pyrimidin-5 (1H) one derivatives SANOFI AVENTIS SYNTHELABO (FR) 2006-03-29 CN disclosed
EP-1430057-B1 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-08-31 EP disclosed
US-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI (FR) 2005-03-03 US disclosed
CN-1556809-A Substituted 2-pyridyl-6, 7,8, 9-tetrahydropyrimido [1, 2-a ] pyrimidin-4-one and 7-pyridyl-2, 3-dihydroimidazo [1, 2-a ] pyrimidin-5 (1H) one derivatives ����ɳŵ��-����������˾ 2004-12-22 CN disclosed
EP-1430057-A2 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES Sanofi-Aventis (FR) 2004-06-23 EP disclosed
EP-1340761-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
WO-2003027116-A2 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-04-03 WO disclosed
EP-1295885-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido(1,2-a)pyrimidin-4-one and 7-pyridinyl-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-20070167461-A1 USE OF SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a] PYRIMIDIN-5(1H)ONE DERIVATIVES AS THERAPEUTIC AGENTS CDK5, CDK5R1, PSEN2 KMT2A 2307/4885NPSR1 2366/4885CYP1A2 2998/4885
US-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives CDK5, PSEN1, GSK3A KMT2A 2688/4885NPSR1 3653/4885CYP1A2 3289/4885

“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.