SCHEMBL1753006

SCHEMBL1753006

Clc1ccc(Cc2ccnnc2N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSP90AB1 P08238 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A7 Q99884 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CHI3L1 P36222 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHIT1 Q13231 1/20 0.39
CHIA Q9BZP6 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
SCHEMBL1753010 0.88 MAPT (0.47) MEN1KMT2AKDM4EPOLBTSHR
SCHEMBL9978207 0.74 GAA (0.50) MEN1KMT2AKDM4EPOLBTSHR
SCHEMBL1752970 0.70 TRPV1 (0.48) KMT2AKDM4ETSHRALDH1A1GAA
SCHEMBL9976269 0.70 ALDH1A1 (0.46) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL1752974 0.68 ALDH1A1 (0.47) KDM4EPOLBTSHRALDH1A1LMNA
SCHEMBL11628722 0.67 L3MBTL1 (0.47) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL1753080 0.67 KMT2A (0.44) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL1752967 0.67 SLC6A7 (0.53) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL1753181 0.67 GAA (0.50) MEN1KMT2AKDM4EPOLBTSHR
SCHEMBL13149297 0.67 POLB (0.68) MEN1KMT2AKDM4EPOLBTSHR

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 10 patents. 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
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 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-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

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 MEN1 3686/4885KMT2A 3472/4885HSP90AB1 4053/4885
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 MEN1 4416/4885KMT2A 1951/4885HSP90AB1 3613/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 MEN1 4416/4885KMT2A 1951/4885HSP90AB1 3613/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP MEN1 3706/4885KMT2A 3504/4885HSP90AB1 3987/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP MEN1 3686/4885KMT2A 3472/4885HSP90AB1 4053/4885

“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.