SCHEMBL1753203

SCHEMBL1753203

NCCNc1cc(-c2ccccc2)c(-c2ccncc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.59
CSNK1D P48730 6/20 0.50
MAPK14 Q16539 6/20 0.50
MAPK11 Q15759 4/20 0.50
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCZ Q05513 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
SOAT2 O75908 1/20 0.41
PIM1 P11309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL1752998 1.00 SOAT1 (0.59) SOAT1CSNK1DMAPK14MAPK11PRKCH
SCHEMBL1753173 0.83 SOAT1 (0.58) SOAT1CSNK1DMAPK14MAPK11SOAT2
SCHEMBL1753077 0.83 SOAT1 (0.58) SOAT1CSNK1DMAPK14MAPK11SOAT2
SCHEMBL1753000 0.80 ACHE (0.55) SOAT1CSNK1DMAPK14MAPK11
SCHEMBL1753221 0.80 ACHE (0.55) SOAT1CSNK1DMAPK14MAPK11
SCHEMBL1753197 0.79 ACHE (0.57) SOAT1CSNK1DMAPK14MAPK11
SCHEMBL1753217 0.79 ACHE (0.57) SOAT1CSNK1DMAPK14MAPK11
SCHEMBL1753214 0.79 SOAT1 (0.50) SOAT1CSNK1DMAPK14MAPK11
SCHEMBL1599078 0.79 SOAT1 (0.50) SOAT1CSNK1DMAPK14MAPK11
SCHEMBL8907602 0.79 MAPK14 (0.60) SOAT1CSNK1DMAPK14MAPK11SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-08-19 US disclosed
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-08-19 US disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US 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 (7 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SOAT1 4556/4885CSNK1D 1587/4885MAPK14 166/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SOAT1 3456/4885CSNK1D 912/4885MAPK14 388/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SOAT1 3456/4885CSNK1D 912/4885MAPK14 388/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 SOAT1 4609/4885CSNK1D 1547/4885MAPK14 126/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SOAT1 4563/4885CSNK1D 1596/4885MAPK14 171/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 SOAT1 4751/4885CSNK1D 1278/4885MAPK14 3491/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SOAT1 4556/4885CSNK1D 1587/4885MAPK14 166/4885

“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.