SCHEMBL978820

SCHEMBL978820

CNc1nc(Cl)c(Cl)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
KIT P10721 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL979005 0.87 PGK1 (0.43) POLBKITMEN1KMT2ACKS1B
SCHEMBL30060994 0.84 POLB (0.47) POLBKITMEN1KMT2ACKS1B
SCHEMBL20011912 0.84 POLB (0.47) POLBKITMEN1KMT2ACKS1B
SCHEMBL978369 0.83 MAP4K4 (0.46) POLBKITMEN1KMT2ACKS1B
SCHEMBL20154158 0.83 POLB (0.46) POLBKITMEN1KMT2ACKS1B
SCHEMBL977899 0.80 TLR9 (0.57) POLBKITMEN1KMT2ACKS1B
SCHEMBL30826866 0.78 TLR9 (0.48) KITMEN1KMT2AGBA1
SCHEMBL22029047 0.78 TLR9 (0.48) KITMEN1KMT2AGBA1
SCHEMBL28363848 0.77 JAK1 (0.55) KITCKS1BSKP1SKP2GBA1
SCHEMBL19995252 0.75 TLR9 (0.44) POLBKITMEN1KMT2ACKS1B

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 POLB 2127/4885HTR1A 107/4885DRD2 1/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 POLB 2127/4885HTR1A 107/4885DRD2 1/4885

“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.