SCHEMBL1752908

SCHEMBL1752908

NCCNc1nnc(-c2ccccc2)cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.56
SYK P43405 2/20 0.45
ZAP70 P43403 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
BCAT2 O15382 1/20 0.41
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
ACHE P22303 1/20 0.40
NQO2 P16083 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL1752903 0.80 SMARCA2 (0.50) SYKLMNAPRKCHPRKCEACHE
SCHEMBL14069276 0.79 ACHE (0.47) SYKLMNAPRKCHPRKCEACHE
SCHEMBL1752986 0.77 ACHE (0.62) SYKLMNAPRKCHPRKCEACHE
SCHEMBL1752989 0.77 PRKCH (0.44) CASP1SYKLMNAPRKCHPRKCE
SCHEMBL1753074 0.75 ALDH1A1 (0.42) CASP1KDM4EALDH1A1HPGDLMNA
SCHEMBL1753124 0.74 ACHE (0.62) KDM4EALDH1A1LMNAPRKCHPRKCE
SCHEMBL1752817 0.72 CASP1 (1.00) CASP1KDM4ERXFP1BCAT2IKBKB
SCHEMBL14910698 0.70 SYK (0.54) SYKZAP70PRKCE
SCHEMBL28606039 0.70 KDM5B (0.50) CASP1ALDH1A1HPGD
SCHEMBL10943732 0.69 ACHE (0.60) SYKLMNAACHE

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 23 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-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
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-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-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
WO-2008109437-A2 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2008-09-12 WO disclosed
WO-2007130383-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND SECRETASES NORTHWESTERN UNIVERSITY (US) 2007-11-15 WO disclosed
WO-2007127475-A2 PYRIDAZINES FOR DEMYELINATING DISEASES AND NEUROPATHIC PAIN NORTHWESTERN UNIVERSITY (US) 2007-11-08 WO disclosed
WO-2007127474-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2007-11-08 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 (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 CASP1 281/4885SYK 982/4885ZAP70 1758/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 CASP1 359/4885SYK 1108/4885ZAP70 2076/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 CASP1 286/4885SYK 896/4885ZAP70 1491/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CASP1 287/4885SYK 987/4885ZAP70 1776/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 CASP1 469/4885SYK 3247/4885ZAP70 4182/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP CASP1 281/4885SYK 982/4885ZAP70 1758/4885

“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.