SCHEMBL977899

SCHEMBL977899

CN(C)c1nc(Cl)c(Cl)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.57
TLR7 Q9NYK1 1/20 0.48
POLB P06746 1/20 0.44
GBA1 P04062 2/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
MAP4K4 O95819 1/20 0.39
KIT P10721 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL30060994 0.84 POLB (0.47) TLR9POLBGBA1CKS1BSKP1
SCHEMBL20011912 0.84 POLB (0.47) TLR9POLBGBA1CKS1BSKP1
SCHEMBL978369 0.83 MAP4K4 (0.46) TLR9POLBGBA1CKS1BSKP1
SCHEMBL20154158 0.83 POLB (0.46) TLR9POLBGBA1CKS1BSKP1
SCHEMBL978820 0.80 POLB (0.44) POLBGBA1CKS1BSKP1SKP2
SCHEMBL979005 0.77 PGK1 (0.43) TLR9POLBGBA1CKS1BSKP1
SCHEMBL19995252 0.75 TLR9 (0.44) TLR9TLR7POLBGBA1CKS1B
SCHEMBL30061006 0.75 TLR9 (0.44) TLR9TLR7POLBGBA1CKS1B
SCHEMBL2384235 0.75 POLB (0.48) TLR9POLBGBA1CKS1BSKP1
SCHEMBL2366517 0.74 POLB (0.48) TLR9POLBGBA1NR1H2NR1H3

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 6 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
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 TLR9 1561/4885TLR7 805/4885POLB 2127/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 TLR9 1561/4885TLR7 805/4885POLB 2127/4885

“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.