SCHEMBL1753028

SCHEMBL1753028

COc1nnc(-c2ccccc2)cc1C(CC(C)C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.40
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
PKM P14618 2/20 0.35
MAOB P27338 2/20 0.35
AGTR1 P30556 2/20 0.35
MITF O75030 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6378259 0.75 SQOR (0.41) SQORMAPTMEN1KMT2ATSHR
SCHEMBL1752806 0.72 SQOR (0.53) SQORMAPTMEN1KMT2ATSHR
SCHEMBL581809 0.72 SMN1; SMN2 (0.53) SQORMAPTMEN1KMT2ATSHR
SCHEMBL581362 0.70 SMN1; SMN2 (0.51) SQORMAPTMEN1KMT2ATSHR
SCHEMBL4062873 0.70 SQOR (0.47) SQORMAPTMEN1KMT2ATSHR
SCHEMBL6377412 0.69 CASP1 (0.37) SQORMAPTMEN1KMT2ATSHR
SCHEMBL6380688 0.69 PDE4A (0.43) SQORMAPTMEN1KMT2ATSHR
SCHEMBL1751970 0.68 SQOR (0.38) SQORMAPTNPC1KDM4ECASP1
SCHEMBL4060924 0.67 SMARCA2 (0.50) SQORMAPTMEN1KMT2ATSHR
SCHEMBL1752975 0.66 ADORA1 (0.51) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1

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 22 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-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-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 SQOR 474/4885MAPT 27/4885MEN1 3686/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SQOR 1479/4885MAPT 21/4885MEN1 4416/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 SQOR 1479/4885MAPT 21/4885MEN1 4416/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 SQOR 465/4885MAPT 32/4885MEN1 3850/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 SQOR 522/4885MAPT 1953/4885MEN1 1160/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP SQOR 474/4885MAPT 27/4885MEN1 3686/4885

“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.