SCHEMBL5102185

SCHEMBL5102185

CCOC(=O)C1Cc2nccnc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
PDK1 Q15118 1/20 0.43
HPGD P15428 2/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP11B2 P19099 1/20 0.41
LIMK1 P53667 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
SCHEMBL29203043 0.83 CYP11B2 (0.41) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL30882906 0.83 CYP11B2 (0.41) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL7898049 0.83 CYP2C19 (0.47) KDM4EALDH1A1KMT2AGAACYP2C19
Hydrochloric Acid SCHEMBL21192421 0.77 ALDH1A1 (0.45) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL16720987 0.77 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL28201234 0.77 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL25025992 0.76 KDM4E (0.46) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL871448 0.75 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL21831956 0.75 KDM4E (0.45) KDM4EALDH1A1KMT2AGAAPDK1
SCHEMBL30882953 0.75 KMT2A (0.45) KDM4EALDH1A1KMT2AGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 US disclosed
EP-1480983-B1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-20050222172-A1 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI (FR) 2005-10-06 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-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES CDK5, CDK5R1, PSEN2 KDM4E 2042/4885ALDH1A1 1879/4885KMT2A 1815/4885
US-20050222172-A1 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives GSK3A, GSK3B, CDK5 KDM4E 2806/4885ALDH1A1 1088/4885KMT2A 1690/4885

“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.