SCHEMBL5005886

SCHEMBL5005886

Fc1ccc(-c2cc(-c3ccccc3)nnc2N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
DRD4 P21917 4/20 0.49
DRD3 P35462 4/20 0.49
SLC6A7 Q99884 3/20 0.49
GRM5 P41594 1/20 0.47
CSNK1D P48730 1/20 0.46
MAPK14 Q16539 1/20 0.46
TOP1 P11387 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SCN9A Q15858 1/20 0.43
NPC1 O15118 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL720267 0.92 SLC6A7 (0.56) DRD2DRD4DRD3SLC6A7CSNK1D
SCHEMBL29572108 0.92 SLC6A7 (0.56) DRD2DRD4DRD3SLC6A7CSNK1D
SCHEMBL1753062 0.88 SLC6A7 (0.49) SLC6A7CSNK1DMAPK14KDM4EALDH1A1
SCHEMBL1753099 0.87 CSNK1D (0.60) DRD2DRD4DRD3SLC6A7CSNK1D
Tt-301 SCHEMBL529969 0.87 CSNK1D (0.60) DRD2DRD4DRD3SLC6A7CSNK1D
Tt-301 SCHEMBL529453 0.86 CSNK1D (0.59) DRD2DRD4DRD3SLC6A7CSNK1D
Tt-301 SCHEMBL9998818 0.86 CSNK1D (0.59) DRD2DRD4DRD3SLC6A7CSNK1D
Tt-301 SCHEMBL300506 0.86 CSNK1D (0.59) DRD2DRD4DRD3SLC6A7CSNK1D
SCHEMBL9976268 0.85 ALDH1A1 (0.51) DRD2DRD4DRD3SLC6A7GRM5
SCHEMBL1753142 0.84 RAB9A (0.53) DRD2DRD4DRD3SLC6A7CSNK1D

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 13 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-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-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
EP-2592075-B1 PYRIDAZINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2015-04-29 EP disclosed
US-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 US disclosed
EP-1812408-B1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIV NORTHWESTERN (US) 2013-10-09 EP disclosed
EP-2592075-A1 Pyridazine compounds for the treatment of inflammatory diseases Northwestern University (US) 2013-05-15 EP 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-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
EP-1812408-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS Northwestern University (US) 2007-08-01 EP disclosed
WO-2006050389-A2 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2006-05-11 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP DRD2 1857/4885DRD4 1715/4885DRD3 2132/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 DRD2 1707/4885DRD4 1608/4885DRD3 2042/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP DRD2 1862/4885DRD4 1739/4885DRD3 2152/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP DRD2 1857/4885DRD4 1715/4885DRD3 2132/4885

“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.