SCHEMBL979110

SCHEMBL979110

CNc1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL12036809 0.78 PDE4A (0.40) PDE4ACYP1A2CYP2C19HTR1ADRD2
SCHEMBL7935983 0.75 PDE4A (0.35) PDE4ACYP1A2CYP2C19LMNA
SCHEMBL10994004 0.74 HTR1A (0.57) PDE4ACYP1A2CYP2C19HTR1ADRD2
SCHEMBL33146 0.73 PDE4A (0.48) PDE4ACYP1A2CYP2C19LMNA
SCHEMBL410475 0.73 PDE4A (0.70) PDE4ACYP1A2CYP2C19LMNAPOLB
SCHEMBL2242634 0.73 PDE4A (0.62) PDE4ACYP1A2CYP2C19LMNAPOLB
SCHEMBL14220773 0.72 PDE4A (0.36) PDE4ACYP1A2CYP2C19HTR1ADRD2
SCHEMBL27655564 0.72 PDE4A (0.36) PDE4ACYP1A2CYP2C19HTR1ADRD2
SCHEMBL11168320 0.72 ADORA1 (0.47) PDE4A
SCHEMBL27871771 0.70 PDE4A (0.46) PDE4ACYP1A2CYP2C19LMNA

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 8 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
WO-2014080341-A1 NEW PROCESS FOR THE SYNTHESIS OF TRICHLOROPYRIMIDINE-AMINE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2014-05-30 WO 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 PDE4A 653/4885CYP1A2 962/4885CYP2C19 1023/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 PDE4A 653/4885CYP1A2 962/4885CYP2C19 1023/4885

“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.