SCHEMBL4863548

SCHEMBL4863548

Cc1c(-c2ccccn2)nc2n(c1=O)CCCN2CC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 3/20 0.50
HTT P42858 2/20 0.47
THRB P10828 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP7 P55210 2/20 0.39
CASP3 P42574 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
TGFBR1 P36897 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3568036 0.77 DPP4 (0.38) SMN1; SMN2KDM4EALDH1A1
SCHEMBL16835830 0.67 PORCN (1.00) PORCNHTTCASP7CASP3TGFBR1
SCHEMBL11391291 0.66 HTT (1.00) PORCNHTTSMN1; SMN2MAPTLMNA
SCHEMBL4007305 0.64 MEN1 (0.55) PORCNHTTTHRBNPSR1DRD2
SCHEMBL23202557 0.63 KDM4E (0.69) HTTNPSR1CASP7CASP3SMN1; SMN2
SCHEMBL31096525 0.63 KDM4E (0.69) HTTNPSR1CASP7CASP3SMN1; SMN2
SCHEMBL4870093 0.63 DPP4 (0.39) NPSR1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4005384 0.61 DRD4 (0.63) DRD2DRD4DRD3MAPTKDM4E
SCHEMBL4008925 0.60 THRB (1.00) THRBNPSR1DRD2DRD4DRD3
SCHEMBL21076412 0.60 CASP3 (0.50) PORCNHTTNPSR1CASP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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
EP-1674456-A2 Substituted alpha-halo-beta-keto-pyridinylpropanoates Sanofi-Aventis (FR) 2006-06-28 EP 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
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 PORCN 4534/4885HTT 422/4885THRB 3086/4885
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 PORCN 4426/4885HTT 106/4885THRB 816/4885

“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.