SCHEMBL4467780

SCHEMBL4467780

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BTK Q06187 1/20 0.42
CASR P41180 1/20 0.42
RAB9A P51151 2/20 0.41
SCN9A Q15858 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
RAD52 P43351 1/20 0.40
UHRF1 Q96T88 1/20 0.40
PDE2A O00408 1/20 0.40
TP53 P04637 2/20 0.39
TNKS O95271 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
Hydrochloric Acid SCHEMBL4900959 0.99 GSK3A (0.51) GSK3AGSK3BTRPV1HDAC4HDAC6
SCHEMBL14022284 0.89 PARP1 (0.46) GSK3AGSK3BTRPV1HDAC6BTK
Hydrochloric Acid SCHEMBL4905453 0.88 GRIN1 (0.45) GSK3AGSK3BTRPV1HDAC6BTK
SCHEMBL14022278 0.87 TP53 (0.52) GSK3BRAB9AMAPTALDH1A1RAD52
SCHEMBL4899824 0.86 ALDH1A1 (0.45) GSK3BHDAC4HDAC6RAB9AMAPT
SCHEMBL14022320 0.84 KDM4E (0.45) GSK3BRAB9AMAPTALDH1A1PARP1
Hydrochloric Acid SCHEMBL4904830 0.83 KDM4E (0.44) GSK3BRAB9AMAPTALDH1A1PARP1
SCHEMBL14022283 0.83 CYP1A2 (0.45) HDAC4HDAC6RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4909746 0.82 CYP1A2 (0.44) HDAC4HDAC6RAB9AMAPTALDH1A1
SCHEMBL14022305 0.80 PARP1 (0.47) GSK3BHDAC6ALDH1A1PARP1TP53

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 11 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
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR 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-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 GSK3A 3/4885GSK3B 1/4885TRPV1 4214/4885

“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.