SCHEMBL9976268

SCHEMBL9976268

OCc1ccc(-c2cc(-c3ccccc3)nnc2N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
SLC6A7 Q99884 6/20 0.50
CSNK1D P48730 1/20 0.45
MAPK14 Q16539 1/20 0.45
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL720267 0.90 SLC6A7 (0.56) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
SCHEMBL29572108 0.90 SLC6A7 (0.56) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
SCHEMBL1753062 0.85 SLC6A7 (0.49) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
SCHEMBL5005886 0.85 DRD2 (0.49) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
Tt-301 SCHEMBL529969 0.85 CSNK1D (0.60) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
SCHEMBL1753099 0.85 CSNK1D (0.60) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
Tt-301 SCHEMBL9998818 0.84 CSNK1D (0.59) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
Tt-301 SCHEMBL300506 0.84 CSNK1D (0.59) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
Tt-301 SCHEMBL529453 0.84 CSNK1D (0.59) ALDH1A1TSHRSLC6A7CSNK1DMAPK14
SCHEMBL1753142 0.82 RAB9A (0.53) ALDH1A1TSHRSLC6A7CSNK1DMAPK14

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 8 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-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-20130072496-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-03-21 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 (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 ALDH1A1 2748/4885TSHR 4117/4885SLC6A7 4015/4885
US-20130072496-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS ALDH1A1 3748/4885TSHR 517/4885SLC6A7 995/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 ALDH1A1 2113/4885TSHR 3482/4885SLC6A7 2952/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP ALDH1A1 2691/4885TSHR 4050/4885SLC6A7 3963/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP ALDH1A1 2748/4885TSHR 4117/4885SLC6A7 4015/4885

“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.