SCHEMBL1754686

SCHEMBL1754686

O=c1[nH]nc(-c2ccccc2)cc1-c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.49
CDC7 O00311 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.47
CYP1A2 P05177 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
AURKA O14965 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
FGFR1 P11362 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
AKT1 P31749 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKCZ Q05513 1/20 0.46

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
SCHEMBL1754735 0.91 POLB (0.57) GSK3BPOLBRAB9ATP53CYP1A2
SCHEMBL705177 0.82 MAPT (0.56) POLBRAB9ATP53CYP1A2L3MBTL1
SCHEMBL4045467 0.80 CYP1A2 (0.43) POLBRAB9ATP53CYP1A2L3MBTL1
SCHEMBL1751404 0.80 CDK5 (0.51) GSK3BCDC7POLBMAPK1ALDH1A1
SCHEMBL27598057 0.79 PIN1 (0.56) POLBRAB9ACYP1A2ALDH1A1KDM4E
SCHEMBL1750038 0.78 GSK3B (0.45) GSK3BCDC7POLBRAB9ACYP1A2
SCHEMBL3425187 0.78 PDPK1 (0.53) GSK3BCYP1A2MAPK1PIM1GSK3A
SCHEMBL1751136 0.77 KDR (0.56) GSK3BCDC7RAB9AAURKAGSK3A
SCHEMBL2641186 0.76 GSK3B (0.66) GSK3BRAB9ATP53MAPK1FGFR1
SCHEMBL11242864 0.76 PDE3B (0.61) GSK3BCYP1A2AURKAGSK3ADYRK1A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063894-B1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2019-08-28 EP disclosed
EP-2063894-B1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2019-08-28 EP 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-9408845-B2 Formulations containing pyridazine compounds NORTHWESTERN UNIVERSITY (US) 2016-08-09 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
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
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-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 US disclosed
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 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
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 (5 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 GSK3B 79/4885CDC7 1358/4885POLB 2949/4885
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS GSK3B 939/4885CDC7 1708/4885POLB 4336/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 GSK3B 11/4885CDC7 1478/4885POLB 3212/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 GSK3B 69/4885CDC7 1440/4885POLB 2947/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP GSK3B 79/4885CDC7 1358/4885POLB 2949/4885

“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.