SCHEMBL9976269

SCHEMBL9976269

OCc1ccc(-c2ccnnc2N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
SORD Q00796 1/20 0.43
SLC6A7 Q99884 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AKT1 P31749 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CSNK1D P48730 1/20 0.38
MAPK14 Q16539 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
SCHEMBL1752967 0.85 SLC6A7 (0.53) ALDH1A1TSHRSLC6A7MEN1KMT2A
SCHEMBL1753150 0.83 CSNK1D (0.52) ALDH1A1TSHRSORDSLC6A7KMT2A
SCHEMBL1753046 0.81 MAPT (0.58) ALDH1A1SLC6A7MEN1KMT2AKDM4E
SCHEMBL9976268 0.80 ALDH1A1 (0.51) ALDH1A1TSHRSLC6A7KDM4ELMNA
SCHEMBL27705074 0.80 SLC6A7 (0.51) ALDH1A1TSHRSLC6A7MEN1KMT2A
SCHEMBL7655504 0.75 MAPT (0.62) ALDH1A1TSHRSORDSLC6A7MEN1
SCHEMBL1752970 0.71 TRPV1 (0.48) ALDH1A1TSHRKMT2AKDM4ELMNA
SCHEMBL1753010 0.70 MAPT (0.47) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL1753006 0.70 MEN1 (0.57) ALDH1A1TSHRSLC6A7MEN1KMT2A
SCHEMBL1753144 0.70 DRD2 (0.48) ALDH1A1TSHRSLC6A7MEN1KMT2A

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 2748/4885TSHR 4117/4885SORD 3843/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 ALDH1A1 2113/4885TSHR 3482/4885SORD 3664/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP ALDH1A1 2691/4885TSHR 4050/4885SORD 3823/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP ALDH1A1 2748/4885TSHR 4117/4885SORD 3843/4885

“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.