SCHEMBL1752934

SCHEMBL1752934

CCc1cc(-c2ccccc2)nnc1NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDE5A O76074 1/20 0.44
ACHE P22303 4/20 0.43
HIF1A Q16665 1/20 0.43
APP P05067 2/20 0.42
BCHE P06276 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
CNR1 P21554 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 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
SCHEMBL1752825 0.83 ACHE (0.61) NPC1RAB9APDE5AACHEHIF1A
SCHEMBL580400 0.71 AURKA (0.46) LMNA
SCHEMBL1752857 0.71 ACHE (0.68) ACHELMNACYP1A2CYP3A4CYP2D6
SCHEMBL12287418 0.70 ACHE (0.60) NPC1RAB9AACHEBCHE
SCHEMBL7438450 0.70 MAPT (0.40) ACHELMNACYP1A2CYP3A4CYP2D6
SCHEMBL581610 0.69 MAPT (0.51) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL581419 0.69 CASP1 (0.53) NPC1RAB9ALMNATDP1
SCHEMBL2760423 0.68 ACHE (0.64) ACHEBCHELMNACYP1A2CYP3A4
SCHEMBL7424497 0.68 MAPT (0.41) ACHEKCNH2TDP1
SCHEMBL1752856 0.68 AGTR1 (0.38) ACHEKCNH2TDP1

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 24 patents — showing the first 20. 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-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 US disclosed
EP-2592075-A1 Pyridazine compounds for the treatment of inflammatory diseases Northwestern University (US) 2013-05-15 EP 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-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-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 (6 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 NPC1 2242/4885RAB9A 4206/4885PDE5A 525/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 NPC1 1383/4885RAB9A 3422/4885PDE5A 404/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 NPC1 1383/4885RAB9A 3422/4885PDE5A 404/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 NPC1 2283/4885RAB9A 4075/4885PDE5A 682/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 NPC1 3421/4885RAB9A 2301/4885PDE5A 375/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP NPC1 2242/4885RAB9A 4206/4885PDE5A 525/4885

“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.