SCHEMBL390863

SCHEMBL390863

Cn1c(S)nnc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
PKM P14618 1/20 0.33
POLB P06746 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LRRK2 Q5S007 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL390748 0.91 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL390783 0.91 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL1544893 0.90 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL17725440 0.86 MEN1 (0.58) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL4872348 0.86 PDE1B (0.38) KMT2AMEN1ALDH1A1
SCHEMBL18454281 0.85 MEN1 (0.35) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL18453784 0.79 MEN1 (0.30) KMT2AMEN1
SCHEMBL19612578 0.79 DRD2 (0.35) KMT2AMEN1
SCHEMBL19629573 0.78 DRD2 (0.30)
SCHEMBL17725191 0.75 DRD2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210469-A1 USE OF SUBSTITUTED THIO-1,2,4-TRIAZOLES FOR INCREASING STRESS TOLERANCE IN PLANTS Bayer Cropscience AG (DE) 2017-08-30 EP disclosed
EP-1817037-B1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-8202868-B2 4-piperazinyl-pyrimidine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-04-19 US disclosed
US-8101754-B2 e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases ABBOTT GMBH & CO. KG (DE) 2012-01-24 US disclosed
EP-1891056-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2010-10-13 EP disclosed
US-7807698-B2 Azabicyclo[3.1.0]hexane derivatives as modulators of the dopamine D3 receptor GLAXO GROUP LIMITED (GB) 2010-10-05 US disclosed
US-7807698-B2 Azabicyclo[3.1.0]hexane derivatives as modulators of the dopamine D3 receptor GLAXO GROUP LIMITED (GB) 2010-10-05 US disclosed
EP-1778684-B1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR ABBOTT GMBH & CO KG (DE) 2009-12-16 EP disclosed
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2009-10-22 US disclosed
CN-101384263-A Is suitable for treating dopamine D3Triazole compounds for receptor-mediated diseases ABBOTT GMBH & CO KG (DE) 2009-03-11 CN disclosed
US-20080227837-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2008-09-18 US disclosed
US-20080227837-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2008-09-18 US disclosed
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-17 US disclosed
EP-1817037-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-15 EP disclosed
EP-1778684-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR Abbott GmbH & Co. KG (DE) 2007-05-02 EP disclosed
WO-2006058753-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-06-08 WO disclosed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 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 (4 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-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRA1D, ADRA1A, ADRA2A KMT2A 1795/4885MEN1 4664/4885ALDH1A1 250/4885
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 KMT2A 3677/4885MEN1 2438/4885ALDH1A1 511/4885
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRB3, DRD3, ADORA3 KMT2A 3803/4885MEN1 2389/4885ALDH1A1 606/4885
US-20080227837-A1 Novel Compounds HTR5A, NPY5R, DRD3 KMT2A 4458/4885MEN1 4379/4885ALDH1A1 1382/4885

“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.