SCHEMBL3632162

SCHEMBL3632162

COCCCNC(=O)c1ccnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.51
FEN1 P39748 1/20 0.51
ERCC4 Q92889 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP1 P09874 1/20 0.49
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CDK1 P06493 3/20 0.44
CDK2 P24941 3/20 0.44
CDK9 P50750 3/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
DHODH Q02127 1/20 0.41

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
Hydrochloric Acid SCHEMBL3635395 0.99 ERCC1 (0.51) ERCC1FEN1ERCC4KMT2APARP1
SCHEMBL14022305 0.91 PARP1 (0.47) ERCC1FEN1ERCC4KMT2APARP1
Hydrochloric Acid SCHEMBL4908850 0.91 PARP1 (0.47) ERCC1FEN1ERCC4KMT2APARP1
SCHEMBL14022310 0.90 PARP1 (0.53) ERCC1FEN1ERCC4KMT2APARP1
Hydrochloric Acid SCHEMBL4908440 0.90 PARP1 (0.52) ERCC1FEN1ERCC4KMT2APARP1
SCHEMBL14022304 0.89 JAK2 (0.43) ERCC1FEN1ERCC4KMT2APARP1
Hydrochloric Acid SCHEMBL4911634 0.88 PARP1 (0.40) ERCC1FEN1ERCC4KMT2APARP1
Hydrochloric Acid SCHEMBL4911629 0.88 JAK2 (0.43) ERCC1FEN1ERCC4KMT2APARP1
SCHEMBL14022298 0.87 LRRK2 (0.46) ERCC1FEN1ERCC4KMT2ACDK1
SCHEMBL14022293 0.87 EGLN1 (0.40) ERCC1FEN1ERCC4KMT2AGSK3B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115252-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES UNIVERSITÉ PARIS CITÉ (FR) 2023-04-13 US disclosed
EP-3741375-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-11-25 EP disclosed
US-20200323900-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-10-15 US disclosed
US-20170209488-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3169337-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-05-24 EP disclosed
WO-2016207366-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-12-29 WO disclosed
WO-2016008966-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-21 WO disclosed
EP-2142542-A1 NEW IMIDAZO [4,5-B] PYRIDINE-7-CARBOXAMIDES 704 AstraZeneca AB (SE) 2010-01-13 EP disclosed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2008121063-A1 NEW IMIDAZO[ 4,5-B]PYRIDINE-7-CARBOXAMIDES 704 ASTRAZENECA AB (SE) 2008-10-09 WO disclosed
WO-2007040439-A1 NEW COMPOUNDS II ASTRAZENECA AB (SE) 2007-04-12 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 (1 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-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders GSK3B, PYGB, GSK3A ERCC1 4612/4885FEN1 4082/4885ERCC4 4533/4885

“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.