SCHEMBL979005

SCHEMBL979005

CCNc1nc(Cl)c(Cl)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
ACHE P22303 2/20 0.42
TLR9 Q9NR96 2/20 0.42
POLB P06746 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
KIT P10721 1/20 0.39
GBA1 P04062 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL978820 0.87 POLB (0.44) POLBCKS1BSKP1SKP2KIT
SCHEMBL20011912 0.81 POLB (0.47) ACHETLR9POLBCKS1BSKP1
SCHEMBL30060994 0.81 POLB (0.47) ACHETLR9POLBCKS1BSKP1
SCHEMBL20154158 0.80 POLB (0.46) ACHETLR9POLBCKS1BSKP1
SCHEMBL978369 0.80 MAP4K4 (0.46) TLR9POLBCKS1BSKP1SKP2
SCHEMBL977899 0.77 TLR9 (0.57) TLR9POLBCKS1BSKP1SKP2
SCHEMBL24753185 0.73 PGK1 (0.55) PGK1ACHETLR9SUV39H2KIT
SCHEMBL24753174 0.73 PGK1 (0.55) PGK1ACHETLR9SUV39H2KIT
SCHEMBL31143019 0.72 HTR3B (0.57) ACHEPOLBCKS1BSKP1SKP2
SCHEMBL19995252 0.72 TLR9 (0.44) TLR9POLBCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802672-B2 Pyrimidinyl-piperazines useful as D3/D2 receptor ligands RICHTER GEDEON NYRT. (HU) 2014-08-12 US disclosed
EP-2132185-B1 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2011-08-03 EP disclosed
US-20110112093-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. 2011-05-12 US disclosed
US-7875610-B2 trans-N-(4-{2-[4-(5,6-dichloro-2-methylamino-pyrimidin-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamide; for treating Parkinson's disease; reacting trans-(4-{4-[2-(4-amino-cyclohexyl)-ethyl]-piperazin-1-yl}-5,6-dichloro-pyrimidin-2-yl)-methyl-amine trihydrochloride with acetyl chloride RICHTER GEDEON NYRT. (HU) 2011-01-25 US disclosed
EP-2132185-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS Richter Gedeon NYRT (HU) 2009-12-16 EP disclosed
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. (HU) 2009-06-04 US disclosed
WO-2008125891-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3 /D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2008-10-23 WO 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-20110112093-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 PGK1 3665/4885ACHE 2921/4885TLR9 1561/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 PGK1 3665/4885ACHE 2921/4885TLR9 1561/4885

“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.