SCHEMBL1753040

SCHEMBL1753040

CC(C)Cc1cc(-c2ccccc2)nnc1N1CCN(c2ncccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CSNK1D P48730 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
SLC6A7 Q99884 3/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL1753140 0.86 TSHR (0.45) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL1753207 0.84 ALDH1A1 (0.43) SORDALDH1A1TSHRMAPTKDM4E
SCHEMBL1752974 0.83 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL1753147 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL1753137 0.81 MAPT (0.44) SORDALDH1A1TSHRMAPTKDM4E
Minozac Free Base SCHEMBL1752767 0.80 MAPT (0.48) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL29572108 0.79 SLC6A7 (0.56) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
SCHEMBL720267 0.79 SLC6A7 (0.56) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
Minozac Free Base SCHEMBL2799232 0.79 TSHR (0.47) ALDH1A1TSHRMAPTKDM4ESMN1; SMN2
Minozac Free Base SCHEMBL29369390 0.79 TSHR (0.47) ALDH1A1TSHRMAPTKDM4ESMN1; 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 30 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-9408845-B2 Formulations containing pyridazine compounds NORTHWESTERN UNIVERSITY (US) 2016-08-09 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
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 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-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
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 SORD 3843/4885ALDH1A1 2748/4885TSHR 4117/4885
US-20090325973-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS SORD 1971/4885ALDH1A1 3001/4885TSHR 3014/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SORD 3664/4885ALDH1A1 2113/4885TSHR 3482/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 SORD 3754/4885ALDH1A1 2777/4885TSHR 3847/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 SORD 2182/4885ALDH1A1 990/4885TSHR 1996/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SORD 3843/4885ALDH1A1 2748/4885TSHR 4117/4885

“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.